 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer04_STD_B3LYPDBJ_augccpVDZ.in
 Output=26_junionone_conformer04_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-83050.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     83051.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer04_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:52:43 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer04_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.563436000000     -0.729672000000      1.520857000000
  C                                                 2.064169000000     -0.295175000000      0.147987000000
  C                                                 0.913913000000      0.297997000000     -0.759656000000
  C                                                -0.457172000000     -0.234905000000     -0.607701000000
  C                                                -1.526747000000      0.432256000000     -0.171814000000
  C                                                -2.854030000000     -0.220333000000     -0.046417000000
  O                                                -3.035071000000     -1.392293000000     -0.312062000000
  C                                                 2.915069000000     -1.378214000000     -0.489725000000
  C                                                 2.663856000000      1.139073000000      0.184553000000
  C                                                 1.305201000000      1.711207000000     -0.281468000000
  C                                                -3.981142000000      0.663387000000      0.438466000000
  H                                                 3.441327000000      1.268677000000     -0.569534000000
  H                                                 3.047149000000      1.480572000000      1.146370000000
  H                                                 1.223447000000      0.160284000000     -1.801272000000
  H                                                 0.696371000000      2.043708000000      0.558807000000
  H                                                 1.320400000000      2.500522000000     -1.031469000000
  H                                                 0.975282000000     -1.647267000000      1.457061000000
  H                                                 0.935555000000      0.032688000000      1.984412000000
  H                                                 2.410704000000     -0.916728000000      2.184750000000
  H                                                 3.285809000000     -1.064848000000     -1.467813000000
  H                                                 2.342708000000     -2.299836000000     -0.624139000000
  H                                                 3.778609000000     -1.614247000000      0.137775000000
  H                                                -0.605465000000     -1.280098000000     -0.869451000000
  H                                                -1.457335000000      1.479231000000      0.100875000000
  H                                                -4.108725000000      1.513428000000     -0.237285000000
  H                                                -3.738662000000      1.073953000000      1.422477000000
  H                                                -4.905923000000      0.094576000000      0.494443000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 19:52:43 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.563436   -0.729672    1.520857
      2          6           0        2.064169   -0.295175    0.147987
      3          6           0        0.913913    0.297997   -0.759656
      4          6           0       -0.457172   -0.234905   -0.607701
      5          6           0       -1.526747    0.432256   -0.171814
      6          6           0       -2.854030   -0.220333   -0.046417
      7          8           0       -3.035071   -1.392293   -0.312062
      8          6           0        2.915069   -1.378214   -0.489725
      9          6           0        2.663856    1.139073    0.184553
     10          6           0        1.305201    1.711207   -0.281468
     11          6           0       -3.981142    0.663387    0.438466
     12          1           0        3.441327    1.268677   -0.569534
     13          1           0        3.047149    1.480572    1.146370
     14          1           0        1.223447    0.160284   -1.801272
     15          1           0        0.696371    2.043708    0.558807
     16          1           0        1.320400    2.500522   -1.031469
     17          1           0        0.975282   -1.647267    1.457061
     18          1           0        0.935555    0.032688    1.984412
     19          1           0        2.410704   -0.916728    2.184750
     20          1           0        3.285809   -1.064848   -1.467813
     21          1           0        2.342708   -2.299836   -0.624139
     22          1           0        3.778609   -1.614247    0.137775
     23          1           0       -0.605465   -1.280098   -0.869451
     24          1           0       -1.457335    1.479231    0.100875
     25          1           0       -4.108725    1.513428   -0.237285
     26          1           0       -3.738662    1.073953    1.422477
     27          1           0       -4.905923    0.094576    0.494443
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524563   0.000000
     3  C    2.584323   1.580746   0.000000
     4  C    2.976308   2.632842   1.478834   0.000000
     5  C    3.710046   3.677786   2.514042   1.333826   0.000000
     6  C    4.714847   4.922609   3.869725   2.461743   1.484344
     7  O    4.994489   5.236178   4.318784   2.841217   2.371432
     8  C    2.507979   1.517788   2.624342   3.562735   4.807140
     9  C    2.547320   1.555001   2.158990   3.500900   4.264709
    10  C    3.045152   2.187700   1.542379   2.645702   3.109288
    11  C    5.818464   6.127724   5.052778   3.784146   2.539669
    12  H    3.448131   2.203868   2.714072   4.178578   5.053666
    13  H    2.688275   2.261923   3.095499   4.277837   4.874126
    14  H    3.456032   2.171144   1.095326   2.098873   3.208219
    15  H    3.060879   2.740441   2.198449   2.807753   2.841274
    16  H    4.124026   3.124137   2.256154   3.289666   3.622565
    17  H    1.091776   2.174282   2.949856   2.882695   3.638379
    18  H    1.091014   2.180303   2.756949   2.954716   3.297256
    19  H    1.092523   2.157503   3.519299   4.060465   4.782956
    20  H    3.465698   2.166936   2.825725   3.929186   5.204001
    21  H    2.770142   2.166201   2.967921   3.479014   4.758320
    22  H    2.757241   2.163183   3.559290   4.516654   5.694807
    23  H    3.274244   3.021953   2.193387   1.087627   2.065820
    24  H    4.002582   3.943568   2.785434   2.107289   1.084128
    25  H    6.347911   6.443920   5.193942   4.065429   2.799970
    26  H    5.601338   6.096859   5.197140   4.074667   2.801090
    27  H    6.601933   6.989572   5.956898   4.595070   3.460745
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.215250   0.000000
     8  C    5.900823   5.952808   0.000000
     9  C    5.687565   6.255574   2.618109   0.000000
    10  C    4.591873   5.335786   3.489924   1.546110   0.000000
    11  C    1.512103   2.384148   7.251717   6.666839   5.437063
    12  H    6.490171   7.006482   2.699879   1.090828   2.200420
    13  H    6.256176   6.882861   3.296500   1.090242   2.264133
    14  H    4.455357   4.771081   2.636042   2.641270   2.172982
    15  H    4.254119   5.146666   4.210889   2.197596   1.089630
    16  H    5.079296   5.885719   4.228599   2.266523   1.088922
    17  H    4.354333   4.390642   2.761365   3.497749   3.796140
    18  H    4.306883   4.803148   3.468497   2.729580   2.843990
    19  H    5.760251   6.009717   2.760466   2.879443   3.769670
    20  H    6.358553   6.434012   1.091926   2.823899   3.610638
    21  H    5.627094   5.462740   1.093184   3.547283   4.157200
    22  H    6.780031   6.832119   1.093238   2.970797   4.165592
    23  H    2.618498   2.495247   3.542313   4.201401   3.597815
    24  H    2.204761   3.302335   5.256588   4.136052   2.798500
    25  H    2.148632   3.098635   7.599934   6.796024   5.417718
    26  H    2.148348   3.096132   7.344506   6.521421   5.361910
    27  H    2.145218   2.522165   8.019078   7.647781   6.464797
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.515017   0.000000
    13  H    7.110963   1.773303   0.000000
    14  H    5.688346   2.768520   3.709130   0.000000
    15  H    4.878411   3.067346   2.487672   3.065138   0.000000
    16  H    5.800183   2.495828   2.960565   2.465504   1.768352
    17  H    5.562625   4.323331   3.764643   3.734376   3.808930
    18  H    5.192460   3.785393   2.693977   3.798758   2.476643
    19  H    6.811899   3.663913   2.688930   4.296266   3.787718
    20  H    7.709038   2.505280   3.656511   2.421875   4.524986
    21  H    7.064057   3.734197   4.233488   2.947979   4.793346
    22  H    8.092698   2.987523   3.336196   3.665749   4.801884
    23  H    4.108890   4.791944   5.002642   2.507570   3.844787
    24  H    2.673793   4.948805   4.624223   3.541804   2.273056
    25  H    1.093383   7.561321   7.288492   5.719188   4.899378
    26  H    1.093453   7.453742   6.803588   5.987476   4.621241
    27  H    1.087152   8.496302   8.099219   6.545518   5.932028
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.849334   0.000000
    18  H    3.915846   1.761229   0.000000
    19  H    4.817720   1.767386   1.765670   0.000000
    20  H    4.094520   3.772616   4.318117   3.758852   0.000000
    21  H    4.924883   2.574314   3.771642   3.131688   1.768169
    22  H    4.933685   3.098427   3.769008   2.558868   1.767089
    23  H    4.245974   2.836588   3.498955   4.307837   3.942890
    24  H    3.168762   4.187106   3.371368   5.004486   5.606294
    25  H    5.574987   6.221570   5.707301   7.367148   7.927221
    26  H    5.800953   5.443115   4.821650   6.508346   7.891225
    27  H    6.847195   6.208802   6.028823   7.577130   8.502893
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.764187   0.000000
    23  H    3.129180   4.510683   0.000000
    24  H    5.408079   6.081618   3.046492   0.000000
    25  H    7.504107   8.493118   4.525069   2.673086   0.000000
    26  H    7.249424   8.086176   4.539979   2.667459   1.756387
    27  H    7.715380   8.858238   4.716341   3.736967   1.784402
                   26         27
    26  H    0.000000
    27  H    1.784075   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.89D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.563436   -0.729672    1.520857
      2          6           0        2.064169   -0.295175    0.147987
      3          6           0        0.913913    0.297997   -0.759656
      4          6           0       -0.457172   -0.234905   -0.607701
      5          6           0       -1.526747    0.432256   -0.171814
      6          6           0       -2.854030   -0.220333   -0.046417
      7          8           0       -3.035071   -1.392293   -0.312062
      8          6           0        2.915069   -1.378214   -0.489725
      9          6           0        2.663856    1.139073    0.184553
     10          6           0        1.305201    1.711207   -0.281468
     11          6           0       -3.981142    0.663387    0.438466
     12          1           0        3.441327    1.268677   -0.569534
     13          1           0        3.047149    1.480572    1.146370
     14          1           0        1.223447    0.160284   -1.801272
     15          1           0        0.696371    2.043708    0.558807
     16          1           0        1.320400    2.500522   -1.031469
     17          1           0        0.975282   -1.647267    1.457061
     18          1           0        0.935555    0.032688    1.984412
     19          1           0        2.410704   -0.916728    2.184750
     20          1           0        3.285809   -1.064848   -1.467813
     21          1           0        2.342708   -2.299836   -0.624139
     22          1           0        3.778609   -1.614247    0.137775
     23          1           0       -0.605465   -1.280098   -0.869451
     24          1           0       -1.457335    1.479231    0.100875
     25          1           0       -4.108725    1.513428   -0.237285
     26          1           0       -3.738662    1.073953    1.422477
     27          1           0       -4.905923    0.094576    0.494443
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.2319954           0.5287193           0.4855268
 Leave Link  202 at Thu Aug 12 19:52:43 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       611.0483324992 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0453067011 Hartrees.
 Nuclear repulsion after empirical dispersion term =      611.0030257980 Hartrees.
 Leave Link  301 at Thu Aug 12 19:52:45 2021, MaxMem=  5368709120 cpu:              11.0 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  3.19D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Thu Aug 12 19:52:45 2021, MaxMem=  5368709120 cpu:               4.1 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:52:45 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer04_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:52:46 2021, MaxMem=  5368709120 cpu:               4.2 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368350547 LenY=  5368174545
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.980426285412    
 DIIS: error= 1.72D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.980426285412     IErMin= 1 ErrMin= 1.72D-03
 ErrMax= 1.72D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.01D-03 BMatP= 5.01D-03
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.72D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.191 Goal=   None    Shift=    0.000
 GapD=    0.191 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.38D-02 MaxDP=4.28D+00              OVMax= 1.41D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.73D-02    CP:  1.67D+00
 E= -465.984616488787     Delta-E=       -0.004190203374 Rises=F Damp=F
 DIIS: error= 2.86D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.984616488787     IErMin= 2 ErrMin= 2.86D-04
 ErrMax= 2.86D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-04 BMatP= 5.01D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.86D-03
 Coeff-Com:  0.210D-01 0.979D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.210D-01 0.979D+00
 Gap=     0.195 Goal=   None    Shift=    0.000
 RMSDP=1.11D-03 MaxDP=1.41D-01 DE=-4.19D-03 OVMax= 8.49D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.92D-04    CP:  1.68D+00  1.03D+00
 E= -465.984370288142     Delta-E=        0.000246200645 Rises=F Damp=F
 DIIS: error= 5.78D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -465.984616488787     IErMin= 2 ErrMin= 2.86D-04
 ErrMax= 5.78D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.24D-04 BMatP= 1.09D-04
 IDIUse=3 WtCom= 2.94D-01 WtEn= 7.06D-01
 Coeff-Com: -0.739D-02 0.672D+00 0.336D+00
 Coeff-En:   0.000D+00 0.745D+00 0.255D+00
 Coeff:     -0.217D-02 0.723D+00 0.279D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=1.06D-04 MaxDP=8.69D-03 DE= 2.46D-04 OVMax= 5.08D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.19D-05    CP:  1.68D+00  1.03D+00  8.77D-01
 E= -465.984701455129     Delta-E=       -0.000331166987 Rises=F Damp=F
 DIIS: error= 6.60D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.984701455129     IErMin= 4 ErrMin= 6.60D-05
 ErrMax= 6.60D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.62D-06 BMatP= 1.09D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.473D-02 0.246D+00 0.348D-01 0.724D+00
 Coeff:     -0.473D-02 0.246D+00 0.348D-01 0.724D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=5.52D-05 MaxDP=3.19D-03 DE=-3.31D-04 OVMax= 7.35D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.47D-05    CP:  1.68D+00  1.04D+00  8.38D-01  1.25D+00
 E= -465.984707992995     Delta-E=       -0.000006537867 Rises=F Damp=F
 DIIS: error= 2.18D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.984707992995     IErMin= 5 ErrMin= 2.18D-05
 ErrMax= 2.18D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.44D-07 BMatP= 7.62D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.112D-02 0.246D-01-0.253D-01 0.358D+00 0.644D+00
 Coeff:     -0.112D-02 0.246D-01-0.253D-01 0.358D+00 0.644D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=1.46D-05 MaxDP=1.71D-03 DE=-6.54D-06 OVMax= 2.74D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.65D-06    CP:  1.68D+00  1.04D+00  8.51D-01  1.24D+00  7.78D-01
 E= -465.984708421166     Delta-E=       -0.000000428170 Rises=F Damp=F
 DIIS: error= 6.71D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.984708421166     IErMin= 6 ErrMin= 6.71D-06
 ErrMax= 6.71D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.13D-08 BMatP= 4.44D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.487D-03 0.458D-02-0.165D-01 0.187D+00 0.389D+00 0.436D+00
 Coeff:     -0.487D-03 0.458D-02-0.165D-01 0.187D+00 0.389D+00 0.436D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=2.92D-06 MaxDP=1.99D-04 DE=-4.28D-07 OVMax= 1.22D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.55D-06    CP:  1.68D+00  1.04D+00  8.52D-01  1.25D+00  8.00D-01
                    CP:  8.66D-01
 E= -465.984708472726     Delta-E=       -0.000000051560 Rises=F Damp=F
 DIIS: error= 1.36D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.984708472726     IErMin= 7 ErrMin= 1.36D-06
 ErrMax= 1.36D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.25D-09 BMatP= 5.13D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.871D-04-0.980D-03-0.456D-02 0.430D-01 0.996D-01 0.202D+00
 Coeff-Com:  0.661D+00
 Coeff:     -0.871D-04-0.980D-03-0.456D-02 0.430D-01 0.996D-01 0.202D+00
 Coeff:      0.661D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=9.01D-07 MaxDP=7.68D-05 DE=-5.16D-08 OVMax= 3.24D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.07D-07    CP:  1.68D+00  1.04D+00  8.53D-01  1.25D+00  8.01D-01
                    CP:  8.77D-01  9.38D-01
 E= -465.984708474646     Delta-E=       -0.000000001920 Rises=F Damp=F
 DIIS: error= 5.68D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.984708474646     IErMin= 8 ErrMin= 5.68D-07
 ErrMax= 5.68D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.20D-10 BMatP= 2.25D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.700D-05-0.924D-03-0.112D-02 0.786D-02 0.221D-01 0.745D-01
 Coeff-Com:  0.394D+00 0.503D+00
 Coeff:     -0.700D-05-0.924D-03-0.112D-02 0.786D-02 0.221D-01 0.745D-01
 Coeff:      0.394D+00 0.503D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=3.50D-07 MaxDP=2.35D-05 DE=-1.92D-09 OVMax= 7.53D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.47D-07    CP:  1.68D+00  1.04D+00  8.53D-01  1.25D+00  7.99D-01
                    CP:  8.87D-01  9.31D-01  8.02D-01
 E= -465.984708475212     Delta-E=       -0.000000000565 Rises=F Damp=F
 DIIS: error= 9.12D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.984708475212     IErMin= 9 ErrMin= 9.12D-08
 ErrMax= 9.12D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-11 BMatP= 5.20D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.442D-05-0.280D-03-0.358D-04-0.771D-03 0.969D-05 0.107D-01
 Coeff-Com:  0.101D+00 0.194D+00 0.696D+00
 Coeff:      0.442D-05-0.280D-03-0.358D-04-0.771D-03 0.969D-05 0.107D-01
 Coeff:      0.101D+00 0.194D+00 0.696D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=7.24D-08 MaxDP=4.33D-06 DE=-5.65D-10 OVMax= 8.97D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.89D-08    CP:  1.68D+00  1.04D+00  8.53D-01  1.25D+00  8.00D-01
                    CP:  8.88D-01  9.38D-01  8.13D-01  9.43D-01
 E= -465.984708475191     Delta-E=        0.000000000020 Rises=F Damp=F
 DIIS: error= 2.76D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -465.984708475212     IErMin=10 ErrMin= 2.76D-08
 ErrMax= 2.76D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-12 BMatP= 1.29D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.239D-05-0.821D-04 0.332D-04-0.680D-03-0.887D-03 0.130D-02
 Coeff-Com:  0.274D-01 0.606D-01 0.313D+00 0.599D+00
 Coeff:      0.239D-05-0.821D-04 0.332D-04-0.680D-03-0.887D-03 0.130D-02
 Coeff:      0.274D-01 0.606D-01 0.313D+00 0.599D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=1.81D-08 MaxDP=8.95D-07 DE= 2.02D-11 OVMax= 2.30D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.22D-08    CP:  1.68D+00  1.04D+00  8.53D-01  1.25D+00  8.00D-01
                    CP:  8.89D-01  9.38D-01  8.24D-01  9.70D-01  9.10D-01
 E= -465.984708475238     Delta-E=       -0.000000000047 Rises=F Damp=F
 DIIS: error= 7.23D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.984708475238     IErMin=11 ErrMin= 7.23D-09
 ErrMax= 7.23D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.36D-14 BMatP= 1.19D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.582D-06-0.962D-05 0.178D-04-0.226D-03-0.379D-03-0.516D-03
 Coeff-Com:  0.265D-02 0.679D-02 0.679D-01 0.247D+00 0.677D+00
 Coeff:      0.582D-06-0.962D-05 0.178D-04-0.226D-03-0.379D-03-0.516D-03
 Coeff:      0.265D-02 0.679D-02 0.679D-01 0.247D+00 0.677D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=5.27D-09 MaxDP=2.25D-07 DE=-4.71D-11 OVMax= 6.09D-08

 SCF Done:  E(RB3LYP) =  -465.984708475     A.U. after   11 cycles
            NFock= 11  Conv=0.53D-08     -V/T= 2.0062
 KE= 4.631317382112D+02 PE=-2.303694348077D+03 EE= 7.635748755928D+02
 Leave Link  502 at Thu Aug 12 19:56:13 2021, MaxMem=  5368709120 cpu:            1651.7 elap:             207.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.90424822D+02

 Leave Link  801 at Thu Aug 12 19:56:13 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 6.92D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 3.51D-01 1.08D-01.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 7.63D-02 9.73D-02.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 6.59D-03 2.12D-02.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 7.44D-04 4.42D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 6.75D-05 1.02D-03.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 1.90D-06 1.95D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 4.85D-08 3.16D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 7.58D-10 3.90D-06.
      9 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 9.40D-12 4.03D-07.
      3 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 1.09D-13 3.50D-08.
      1 vectors produced by pass 11 Test12= 2.49D-13 8.33D-09 XBig12= 1.55D-14 1.40D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 8.53D-14
 Solved reduced A of dimension   112 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.175948D+03
      2 -0.328410D+01  0.122700D+03
      3 -0.594138D+01  0.235681D+01  0.104346D+03
 Isotropic polarizability for W=    0.085645      134.33 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.782239D+02 -0.135180D+02  0.235308D+02
      2   0.210428D+02  0.194795D+02 -0.351022D+02
      3   0.571811D+02 -0.596143D+01  0.115714D+02
      4   0.763552D+01  0.249952D+02 -0.242583D+02
      5   0.332256D+02 -0.259385D+02  0.814596D+02
      6  -0.365708D+01 -0.390489D+01  0.137883D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.114454D+01  0.517210D+01 -0.770269D+01
      2   0.411982D+02 -0.113285D+02  0.319397D+02
      3   0.241530D+02 -0.131661D+02  0.132753D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.168020D+01  0.311973D+02 -0.197497D+02
      2  -0.969480D+01 -0.206012D+02  0.242785D+02
      3   0.211536D+02 -0.395239D+01  0.222814D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.553343D+00 -0.890476D+01 -0.393710D+01
      2  -0.890476D+01  0.915092D+00 -0.215264D+01
      3  -0.393710D+01 -0.215264D+01 -0.666193D+00
 OR G Eigenvalues:   -10.1539     1.1579     9.7982  Iso=    -0.2674
 Eigenvectors:
   (1)   0.666921   0.617598   0.416879
   (2)  -0.207075  -0.383815   0.899892
   (3)   0.715776  -0.686482  -0.128086
 w=    0.085645 a.u., Optical Rotation Beta=     -0.2674 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      -83.31 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 1.36D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 5.16D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 4.59D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 2.66D-02 5.90D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 1.71D-03 6.87D-03.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 2.00D-05 4.49D-04.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 2.81D-07 6.10D-05.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 1.78D-09 4.56D-06.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 6.43D-12 2.54D-07.
      9 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 1.47D-14 9.20D-09.
      2 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 1.53D-15 4.22D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.78D-15
 Solved reduced A of dimension   221 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 6.20D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 6.20D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.26D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.175948D+03 -0.328410D+01 -0.594138D+01
      2  -0.328410D+01  0.122700D+03  0.235681D+01
      3  -0.594138D+01  0.235681D+01  0.104346D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.114454D+01  0.517210D+01 -0.770269D+01
      2   0.411982D+02 -0.113285D+02  0.319397D+02
      3   0.241530D+02 -0.131661D+02  0.132753D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.782239D+02 -0.135180D+02  0.235308D+02
      2   0.210428D+02  0.194795D+02 -0.351022D+02
      3   0.571811D+02 -0.596143D+01  0.115714D+02
      4   0.763552D+01  0.249952D+02 -0.242583D+02
      5   0.332256D+02 -0.259385D+02  0.814596D+02
      6  -0.365708D+01 -0.390489D+01  0.137883D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.413873D+01  0.126900D+01 -0.444563D+01  0.612880D-01  0.382541D+01
      2   0.126900D+01  0.381987D+01  0.233872D+01  0.382541D+01  0.247067D+01
      3  -0.444563D+01  0.233872D+01 -0.377742D+01  0.239939D+01 -0.189665D+01
                 6             7             8             9            10 
      1   0.239939D+01 -0.336214D+01  0.289361D+01 -0.353131D+01  0.291825D+02
      2  -0.189665D+01  0.289361D+01 -0.890350D+00 -0.102456D+01 -0.223838D+01
      3  -0.196960D+01 -0.353131D+01 -0.102456D+01  0.919881D+00  0.422084D+01
                11            12            13            14            15 
      1  -0.223838D+01  0.422084D+01 -0.141872D+02 -0.271732D+01 -0.337525D+01
      2  -0.278945D+01 -0.235372D+01 -0.271732D+01 -0.483729D+01  0.110395D+01
      3  -0.235372D+01  0.400684D+01 -0.337525D+01  0.110395D+01  0.126278D+01
                16            17            18            19            20 
      1   0.180925D+02 -0.339592D+01  0.654002D+01 -0.446872D+02  0.205471D+01
      2  -0.339592D+01  0.263166D+01  0.765938D+00  0.205471D+01 -0.291085D+01
      3   0.654002D+01  0.765938D+00 -0.291851D+01 -0.153021D+00  0.118615D+01
                21            22            23            24            25 
      1  -0.153021D+00  0.127977D+02 -0.184455D+01  0.262313D+01 -0.752427D+01
      2   0.118615D+01 -0.184455D+01 -0.186833D+01 -0.162970D+01  0.247465D+01
      3  -0.333165D+01  0.262313D+01 -0.162970D+01  0.232106D+01 -0.734418D+01
                26            27            28            29            30 
      1   0.247465D+01 -0.734418D+01  0.596821D+02  0.240268D+00 -0.326161D+01
      2  -0.286099D+01  0.152239D+01  0.240268D+00  0.186693D+01 -0.792313D+00
      3   0.152239D+01  0.536011D+01 -0.326161D+01 -0.792313D+00  0.236519D+01
                31            32            33            34            35 
      1  -0.138636D+02  0.182001D+01  0.418093D-02 -0.152826D+02 -0.166998D+01
      2   0.182001D+01  0.247720D+01  0.147335D+01 -0.166998D+01  0.934166D+00
      3   0.418093D-02  0.147335D+01 -0.143673D+01  0.619360D+01 -0.108878D+00
                36            37            38            39            40 
      1   0.619360D+01 -0.521234D+02 -0.291082D+01  0.302454D+01  0.140428D+02
      2  -0.108878D+00 -0.291082D+01 -0.108475D+01  0.883633D+00 -0.381056D+01
      3  -0.426112D+01  0.302454D+01  0.883633D+00 -0.159985D+01 -0.821276D+00
                41            42            43            44            45 
      1  -0.381056D+01 -0.821276D+00  0.163764D+02  0.128055D+01 -0.471119D+01
      2  -0.208214D+01 -0.142178D+01  0.128055D+01 -0.135708D+01  0.731034D+00
      3  -0.142178D+01  0.233724D+01 -0.471119D+01  0.731034D+00  0.218709D+01
                46            47            48            49            50 
      1   0.181514D+02  0.228065D+01 -0.152462D+01  0.254126D+02  0.981984D+01
      2   0.228065D+01  0.229209D+00  0.670721D+00  0.981984D+01  0.599031D+01
      3  -0.152462D+01  0.670721D+00 -0.726422D+00  0.708769D+00  0.236810D+00
                51            52            53            54            55 
      1   0.708769D+00  0.304323D+01  0.272691D+01 -0.114015D+01 -0.679885D+01
      2   0.236810D+00  0.272691D+01  0.967036D+00  0.561600D+00 -0.310046D+01
      3  -0.660919D+00 -0.114015D+01  0.561600D+00  0.735734D+00 -0.437130D+00
                56            57            58            59            60 
      1  -0.310046D+01 -0.437130D+00 -0.280807D+02 -0.111901D+02  0.278400D+00
      2  -0.174709D+01 -0.694593D+00 -0.111901D+02 -0.111892D+02 -0.582207D+00
      3  -0.694593D+00 -0.402033D+00  0.278400D+00 -0.582207D+00 -0.122654D+01
                61            62            63            64            65 
      1  -0.678361D+01 -0.250330D+01 -0.178261D+01 -0.758072D+01  0.221715D+01
      2  -0.250330D+01 -0.100140D+01 -0.288839D+01  0.221715D+01  0.345650D+01
      3  -0.178261D+01 -0.288839D+01 -0.132525D+01 -0.260766D+01  0.290971D+01
                66            67            68            69            70 
      1  -0.260766D+01  0.183487D+01  0.234570D+01  0.317184D+01 -0.551332D+01
      2   0.290971D+01  0.234570D+01  0.391937D+01 -0.167093D+00  0.320179D+01
      3  -0.291574D+01  0.317184D+01 -0.167093D+00 -0.207578D+01 -0.430162D+01
                71            72            73            74            75 
      1   0.320179D+01 -0.430162D+01 -0.325568D+01 -0.281552D+01  0.163824D+01
      2  -0.103151D+01 -0.757069D+00 -0.281552D+01  0.245882D+01 -0.848001D+00
      3  -0.757069D+00  0.460562D+01  0.163824D+01 -0.848001D+00 -0.291055D+01
                76            77            78            79            80 
      1  -0.375653D+01  0.232596D+01 -0.181270D+01 -0.144637D+01 -0.153226D+01
      2   0.232596D+01  0.635336D+01 -0.414632D+00 -0.153226D+01 -0.923124D+00
      3  -0.181270D+01 -0.414632D+00 -0.162478D+01 -0.545823D+01 -0.265061D+01
                81            82            83            84            85 
      1  -0.545823D+01 -0.423458D+01  0.193709D+01 -0.253474D+01  0.311477D+01
      2  -0.265061D+01  0.193709D+01  0.189621D+01  0.171893D+01  0.263256D+01
      3  -0.170466D+01 -0.253474D+01  0.171893D+01  0.851649D+00  0.132957D+01
                86            87            88            89            90 
      1   0.263256D+01  0.132957D+01 -0.278613D+01  0.177788D+01  0.138319D+01
      2  -0.158581D+01  0.329050D+01  0.177788D+01  0.452120D+01 -0.271559D+01
      3   0.329050D+01 -0.205492D+01  0.138319D+01 -0.271559D+01 -0.467619D+00
                91            92            93            94            95 
      1   0.241935D+01  0.525024D+01  0.102693D+01  0.832172D+01  0.294116D+01
      2   0.525024D+01  0.343662D+00 -0.184927D+01  0.294116D+01 -0.413101D+01
      3   0.102693D+01 -0.184927D+01 -0.149159D+01 -0.178863D+01  0.856897D+00
                96            97            98            99           100 
      1  -0.178863D+01  0.180734D+01 -0.188217D+01  0.184955D+00  0.656316D+01
      2   0.856897D+00 -0.188217D+01  0.147491D+01 -0.386440D+01  0.197057D+01
      3  -0.322478D+01  0.184955D+00 -0.386440D+01 -0.340616D+01 -0.274658D+01
               101           102           103           104           105 
      1   0.197057D+01 -0.274658D+01  0.476029D+00  0.100409D+01 -0.291466D+00
      2   0.145378D+01 -0.619558D+00  0.100409D+01  0.446131D+00 -0.557314D+00
      3  -0.619558D+00  0.219408D+01 -0.291466D+00 -0.557314D+00  0.456754D+00
               106           107           108           109           110 
      1  -0.514692D+01 -0.104288D+01  0.309935D+01  0.247405D+01  0.159093D+01
      2  -0.104288D+01 -0.149543D+01  0.122449D+01  0.159093D+01  0.799525D+00
      3   0.309935D+01  0.122449D+01 -0.264658D+01  0.177172D+01  0.872617D+00
               111           112           113           114           115 
      1   0.177172D+01  0.506871D+00  0.140284D+01  0.102883D+01  0.489361D+01
      2   0.872617D+00  0.140284D+01  0.148174D+01  0.141881D+01  0.222766D+01
      3   0.190277D+01  0.102883D+01  0.141881D+01  0.141242D+01  0.428913D+01
               116           117           118           119           120 
      1   0.222766D+01  0.428913D+01  0.723447D+01 -0.606963D+00 -0.191846D+01
      2   0.257800D+01  0.244749D+01 -0.606963D+00  0.473501D+00 -0.330328D-01
      3   0.244749D+01  0.555895D+01 -0.191846D+01 -0.330328D-01  0.203461D+01
               121           122           123           124           125 
      1  -0.509344D+01  0.834177D+00  0.474972D-01 -0.336598D+01 -0.259565D+00
      2   0.834177D+00 -0.486854D-01 -0.968498D+00 -0.259565D+00 -0.120529D+01
      3   0.474972D-01 -0.968498D+00 -0.106644D+01  0.402806D+01 -0.782908D+00
               126           127           128           129           130 
      1   0.402806D+01 -0.206707D+01  0.353180D+00  0.108737D+01  0.289883D+00
      2  -0.782908D+00  0.353180D+00 -0.167003D+01 -0.846992D+00 -0.961546D+00
      3  -0.877688D+01  0.108737D+01 -0.846992D+00 -0.137228D+01 -0.572558D+00
               131           132           133           134           135 
      1  -0.961546D+00 -0.572558D+00  0.181483D+01 -0.803730D+00 -0.105273D+01
      2   0.208274D+01  0.791931D+00 -0.803730D+00  0.190882D+01  0.173515D+01
      3   0.791931D+00  0.106586D+01 -0.105273D+01  0.173515D+01  0.288599D+01
               136           137           138           139           140 
      1   0.964521D+00  0.109127D+01 -0.373584D+00  0.657013D-01  0.202678D+00
      2   0.109127D+01  0.683952D-01 -0.136528D+00  0.202678D+00  0.751833D+01
      3  -0.373584D+00 -0.136528D+00 -0.513726D-01 -0.150079D+00 -0.349538D+01
               141           142           143           144           145 
      1  -0.150079D+00 -0.975244D+00 -0.307186D+00 -0.221181D+00 -0.171821D+01
      2  -0.349538D+01 -0.307186D+00 -0.517194D+01  0.363262D+01 -0.169795D+01
      3   0.235748D+01 -0.221181D+00  0.363262D+01 -0.327853D+01  0.607176D+00
               146           147           148           149           150 
      1  -0.169795D+01  0.607176D+00 -0.134960D+01 -0.212979D+01  0.175729D+00
      2  -0.274857D+01  0.510177D+00 -0.212979D+01 -0.592465D+01  0.151961D+01
      3   0.510177D+00 -0.706870D+00  0.175729D+00  0.151961D+01 -0.151435D+01
               151           152           153           154           155 
      1  -0.305249D+00 -0.108719D+00 -0.197733D+00 -0.204908D+01  0.974789D+00
      2  -0.108719D+00  0.131989D-01 -0.582780D+00  0.974789D+00 -0.155976D+01
      3  -0.197733D+00 -0.582780D+00  0.297232D+00  0.143639D+01 -0.752707D+00
               156           157           158           159           160 
      1   0.143639D+01  0.140785D+01 -0.146575D+01 -0.977441D+00  0.977299D+00
      2  -0.752707D+00 -0.146575D+01  0.216108D+01  0.125255D+01 -0.779025D+00
      3  -0.162967D+01 -0.977441D+00  0.125255D+01  0.257044D+01 -0.864676D+00
               161           162           163           164           165 
      1  -0.779025D+00 -0.864676D+00  0.572736D+01 -0.151409D+01  0.402446D+01
      2   0.108614D+01  0.117334D+01 -0.151409D+01  0.115048D+01 -0.148401D+01
      3   0.117334D+01  0.254248D+01  0.402446D+01 -0.148401D+01  0.453448D+01
               166           167           168           169           170 
      1  -0.381928D+00  0.724871D+00 -0.752589D+00  0.220342D+01 -0.109391D+01
      2   0.724871D+00 -0.115715D+01  0.128045D+01 -0.109391D+01  0.975486D+00
      3  -0.752589D+00  0.128045D+01 -0.697893D+00  0.326071D+01 -0.125385D+01
               171           172           173           174           175 
      1   0.326071D+01  0.253246D+01 -0.194451D+00 -0.168905D+01  0.112720D+01
      2  -0.125385D+01 -0.194451D+00  0.783564D-01 -0.255543D+00 -0.459279D-02
      3   0.469165D+01 -0.168905D+01 -0.255543D+00  0.219591D+01 -0.955559D+00
               176           177           178           179           180 
      1  -0.459279D-02 -0.955559D+00 -0.247566D+01  0.126857D+00  0.343079D+01
      2   0.374289D+00 -0.812760D+00  0.126857D+00 -0.135259D+01 -0.117652D-01
      3  -0.812760D+00  0.164649D+01  0.343079D+01 -0.117652D-01 -0.699783D+01
               181           182           183           184           185 
      1  -0.835376D+00 -0.112950D+01  0.733738D-01 -0.153669D+01 -0.529541D+00
      2  -0.112950D+01 -0.359800D+01 -0.847837D+00 -0.529541D+00 -0.821030D+01
      3   0.733738D-01 -0.847837D+00 -0.593528D+00 -0.194438D+00 -0.133638D+01
               186           187           188           189           190 
      1  -0.194438D+00  0.473069D+00 -0.441944D+00  0.234427D+00  0.859342D+01
      2  -0.133638D+01 -0.441944D+00 -0.739325D+00 -0.110855D+01 -0.342684D+01
      3  -0.109691D+01  0.234427D+00 -0.110855D+01 -0.910654D+00  0.216955D+01
               191           192           193           194           195 
      1  -0.342684D+01  0.216955D+01 -0.138962D+01  0.178059D+01 -0.768257D+00
      2   0.184664D+01 -0.877033D+00  0.178059D+01 -0.191312D+01  0.559184D+00
      3  -0.877033D+00  0.191032D+01 -0.768257D+00  0.559184D+00 -0.275628D+00
               196           197           198           199           200 
      1   0.566366D+01 -0.227695D+01  0.251428D+01  0.543689D+00 -0.898418D+00
      2  -0.227695D+01  0.192972D+01 -0.865290D+00 -0.898418D+00 -0.298870D+00
      3   0.251428D+01 -0.865290D+00  0.163692D+01 -0.532821D+00 -0.108743D+00
               201           202           203           204           205 
      1  -0.532821D+00 -0.195185D+01 -0.662658D-01  0.310126D+00 -0.198322D+01
      2  -0.108743D+00 -0.662658D-01 -0.580212D+01 -0.172587D+01  0.424522D+00
      3  -0.275393D-01  0.310126D+00 -0.172587D+01 -0.148274D+01 -0.783392D+00
               206           207           208           209           210 
      1   0.424522D+00 -0.783392D+00 -0.908715D+00  0.132613D+01  0.579241D+00
      2  -0.132278D+01 -0.120531D+01  0.132613D+01  0.112012D+00 -0.150385D+00
      3  -0.120531D+01 -0.789855D+00  0.579241D+00 -0.150385D+00 -0.193292D+00
               211           212           213           214           215 
      1   0.217101D+01 -0.224968D+00 -0.286273D+00  0.769255D+00 -0.437388D+00
      2  -0.224968D+00  0.586318D+01  0.111971D+01 -0.437388D+00  0.137115D+01
      3  -0.286273D+00  0.111971D+01  0.814743D+00  0.349737D+00  0.628833D+00
               216           217           218           219           220 
      1   0.349737D+00 -0.298192D+01  0.522459D+00 -0.744746D+00  0.365853D+01
      2   0.628833D+00  0.522459D+00 -0.672160D+00  0.587989D+00 -0.330448D+01
      3   0.166240D+00 -0.744746D+00  0.587989D+00 -0.260308D+00  0.368020D+00
               221           222           223           224           225 
      1  -0.330448D+01  0.368020D+00 -0.268873D+01  0.183530D+01 -0.123096D+01
      2   0.628746D+01 -0.178535D+01  0.183530D+01 -0.318800D+01  0.241055D+01
      3  -0.178535D+01  0.238463D+01 -0.123096D+01  0.241055D+01 -0.191038D+01
               226           227           228           229           230 
      1  -0.886500D+00 -0.455603D+00  0.528319D+00  0.146830D+01 -0.137812D+01
      2  -0.455603D+00  0.569666D+00  0.675875D+00 -0.137812D+01  0.268863D+01
      3   0.528319D+00  0.675875D+00  0.109287D+01 -0.380119D+00  0.176795D+01
               231           232           233           234           235 
      1  -0.380119D+00  0.334853D+01 -0.723765D+00 -0.162258D+01 -0.980245D+01
      2   0.176795D+01 -0.723765D+00  0.220331D+01  0.301684D+01 -0.208942D+01
      3   0.238785D+01 -0.162258D+01  0.301684D+01  0.720382D+01  0.781517D+00
               236           237           238           239           240 
      1  -0.208942D+01  0.781517D+00 -0.516595D+01 -0.203229D+01  0.681169D+00
      2  -0.154404D+01  0.295750D+00 -0.203229D+01 -0.136463D+01  0.121927D+00
      3   0.295750D+00 -0.109860D+01  0.681169D+00  0.121927D+00 -0.609733D+00
               241           242           243 
      1   0.176277D+00  0.288948D+00 -0.126570D+01
      2   0.288948D+00 -0.549826D-01 -0.303415D-01
      3  -0.126570D+01 -0.303415D-01  0.602323D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.289943D+01  0.116327D+02  0.171043D+01  0.115483D+02  0.427008D+01
      2  -0.890640D+01  0.330963D+00  0.519585D+01  0.290914D+01 -0.122845D+02
      3  -0.113091D+01 -0.106299D+02  0.117676D+01 -0.578631D+01 -0.902204D+01
                 6             7             8             9            10 
      1  -0.867155D+01  0.257055D+01 -0.176435D+01 -0.358647D+01  0.702268D+01
      2  -0.851718D+01 -0.262436D+01 -0.667232D+01  0.760459D+01  0.333462D+02
      3   0.936669D-01 -0.213956D+01 -0.956461D+00  0.475193D+01  0.446812D+01
                11            12            13            14            15 
      1  -0.550111D+01  0.238954D+01 -0.196050D+01 -0.392132D+00 -0.329803D+01
      2  -0.722493D+01  0.137589D+02 -0.213710D+02  0.557017D+01  0.294038D+01
      3   0.656902D+01  0.267148D+01  0.103842D+02  0.165073D+02 -0.141394D+01
                16            17            18            19            20 
      1   0.145729D+01  0.595600D+01 -0.141347D+01 -0.896099D+01  0.341771D+01
      2   0.202140D+02  0.272128D+01 -0.394186D+01 -0.326070D+02  0.381227D+01
      3   0.541131D+01 -0.790207D+00 -0.433406D+01 -0.668107D+01 -0.378403D+01
                21            22            23            24            25 
      1  -0.286048D+01  0.160748D+01  0.646603D+01 -0.120102D+01 -0.296914D+01
      2   0.355423D+00  0.165948D+02 -0.363825D+01  0.514919D+01 -0.227168D+02
      3   0.516242D+00  0.101059D+02 -0.140569D+01  0.125000D+01  0.126515D+01
                26            27            28            29            30 
      1   0.399847D+01 -0.335237D+01  0.695416D+01 -0.834371D+00  0.135252D+01
      2   0.346895D+01 -0.373669D+01  0.346006D+02  0.791390D+00 -0.809597D+01
      3   0.176393D+01 -0.158217D+01  0.142155D+02  0.408535D+01 -0.269016D+01
                31            32            33            34            35 
      1   0.241178D+01 -0.341288D+01 -0.365121D+00 -0.307349D+01  0.268732D+01
      2  -0.831263D+01  0.105396D+01  0.773548D+00 -0.433086D+02 -0.687420D+00
      3   0.119035D+02  0.145230D+01 -0.191792D+00 -0.826792D+01 -0.233676D+01
                36            37            38            39            40 
      1   0.301696D+01 -0.123912D+01  0.968460D-01  0.866305D-01  0.284491D+01
      2   0.822902D+01 -0.336195D+02 -0.260348D+01  0.114544D+02  0.781630D+01
      3   0.179640D+01 -0.220350D+02 -0.130099D+02  0.246985D+01  0.116701D+02
                41            42            43            44            45 
      1  -0.742712D+00 -0.188307D+00  0.989873D+01  0.523722D+01 -0.127045D+01
      2  -0.289372D+00 -0.124562D+01  0.200008D+02 -0.128174D+01 -0.866943D+01
      3  -0.441499D+01 -0.338197D+01  0.802101D+01 -0.510567D+00 -0.405726D+00
                46            47            48            49            50 
      1  -0.194220D+01  0.303399D+01 -0.204526D+01  0.268806D+01 -0.191023D+01
      2   0.696230D+01  0.384871D+01 -0.132415D+02  0.132682D+02  0.227232D+01
      3   0.948351D+00  0.742813D+01 -0.373104D+00  0.438103D+02  0.269402D+02
                51            52            53            54            55 
      1   0.412256D+01  0.499196D+01  0.809039D+01  0.357279D+01  0.262280D+01
      2  -0.822388D+01 -0.247211D+02  0.165323D+00  0.414487D+01 -0.132960D+01
      3  -0.177835D+01  0.132676D+01  0.325328D+01  0.156045D+01 -0.122015D+01
                56            57            58            59            60 
      1  -0.609113D+00  0.196498D-01 -0.268676D+00  0.408697D+00 -0.940202D+01
      2   0.288235D+00  0.799726D+01 -0.131757D+02 -0.195998D+01  0.123989D+02
      3  -0.105293D+02 -0.214198D+01 -0.258934D+02 -0.429581D+02 -0.166952D+01
                61            62            63            64            65 
      1  -0.441697D-01  0.931708D+00 -0.227936D+01 -0.560850D+01  0.412393D+01
      2   0.539122D+01  0.669143D+01  0.287563D+01 -0.116472D+02  0.115161D+02
      3  -0.500479D+01 -0.500398D+01 -0.796585D+01  0.232919D+01 -0.192059D+02
                66            67            68            69            70 
      1  -0.793413D+01  0.363416D+01 -0.323554D+01 -0.453972D+01 -0.117231D+02
      2  -0.974736D+01  0.101077D+02  0.584817D+00 -0.418231D+01 -0.193067D+02
      3  -0.631719D+01 -0.565992D+01 -0.215935D+02 -0.495892D+01 -0.465247D+01
                71            72            73            74            75 
      1   0.180091D+01  0.927216D+01 -0.364550D+01  0.349881D+01  0.407440D+01
      2   0.371304D+00  0.128095D+02  0.148586D+01 -0.158814D+01 -0.935761D+01
      3  -0.436448D+01  0.958733D+01  0.880235D+01 -0.173816D+02  0.796804D+01
                76            77            78            79            80 
      1   0.122853D+01  0.365761D+01  0.823178D+00  0.929958D+01  0.671477D+01
      2  -0.507604D+01 -0.235537D+01 -0.604559D+01 -0.245112D+02 -0.996885D+01
      3  -0.707320D+01 -0.172948D+02  0.129594D+00  0.790272D+01 -0.126189D+01
                81            82            83            84            85 
      1   0.209709D+01  0.538623D+01 -0.664633D+01 -0.263883D+01 -0.964103D+01
      2  -0.648986D+01 -0.595881D+01  0.247822D+01  0.223974D+01  0.658873D+01
      3   0.251272D+01 -0.114366D+02 -0.338666D+00 -0.935671D+01  0.793670D+01
                86            87            88            89            90 
      1  -0.108778D+02  0.930507D+00 -0.188403D+01  0.899914D+01  0.137649D+01
      2   0.440122D+01 -0.100541D+01 -0.256188D+01 -0.379628D+00 -0.237880D+00
      3   0.683216D+01  0.498902D+00 -0.124416D+02  0.156766D+00  0.707502D+01
                91            92            93            94            95 
      1   0.567992D+00  0.160804D+01  0.254488D+01  0.500721D+01 -0.387265D+01
      2  -0.627130D+01  0.645502D+01  0.124821D+02  0.846429D+01 -0.550985D+01
      3   0.218578D+02  0.136854D+01 -0.678911D+01  0.208995D+02 -0.154873D+02
                96            97            98            99           100 
      1   0.133301D+01 -0.788085D+01  0.929844D+01  0.224759D+01  0.385922D+01
      2   0.132000D+02 -0.133621D+02  0.222495D+02  0.169417D+02 -0.868896D+01
      3   0.194840D+01 -0.685968D+01  0.583911D+01 -0.172856D+02  0.377600D+01
               101           102           103           104           105 
      1  -0.233762D+00 -0.369671D+01  0.737718D+00  0.565545D+00 -0.164682D+01
      2  -0.165394D+01  0.946420D+01 -0.157680D+01 -0.148753D+01  0.176292D+01
      3  -0.395117D+01 -0.194398D+01  0.184563D-01  0.422351D+00  0.124400D+01
               106           107           108           109           110 
      1  -0.395116D+01  0.225639D+00  0.414704D+01 -0.185173D+01 -0.191739D+00
      2   0.685193D+01  0.320214D+01 -0.914993D+01  0.243575D+01  0.228914D+01
      3  -0.373692D+01  0.493426D+01  0.492375D+00  0.218744D+00 -0.204726D+01
               111           112           113           114           115 
      1  -0.298052D+01 -0.162453D+01 -0.120555D+01 -0.294910D+01 -0.509769D+01
      2   0.721651D+01  0.137818D+01  0.453271D+01  0.486699D+01  0.103355D+02
      3  -0.401630D+00 -0.611728D+00 -0.286023D+01 -0.257341D+01 -0.423002D+00
               116           117           118           119           120 
      1   0.609934D+00 -0.826377D+01  0.474660D+00 -0.141953D+01 -0.329516D+00
      2   0.728273D+01  0.180473D+02  0.551274D+01 -0.107700D+01  0.142840D+01
      3  -0.700968D+01 -0.209119D+01  0.187861D+01 -0.175620D+01 -0.711720D+00
               121           122           123           124           125 
      1  -0.317358D+01 -0.325405D+00  0.368083D+00  0.110499D+01  0.423274D+01
      2  -0.529528D+01  0.580545D+00 -0.809815D+00 -0.270410D+01 -0.845539D+00
      3   0.144564D+01 -0.328920D+00  0.481732D+00 -0.899818D+00  0.160470D+01
               126           127           128           129           130 
      1   0.311524D+01 -0.308289D+01  0.197000D+01  0.432097D+01  0.170703D+01
      2  -0.418219D+01  0.273157D+01 -0.784671D+00 -0.339076D+00 -0.124632D+01
      3   0.128866D+01 -0.855346D+01  0.155043D+01  0.477198D+01  0.357561D+01
               131           132           133           134           135 
      1  -0.171529D+01 -0.372174D+01  0.326082D+01 -0.222650D+01 -0.867430D+01
      2   0.104964D+01  0.754545D+00 -0.350374D+01  0.190790D+01  0.241855D+01
      3  -0.522275D+01 -0.273572D+01  0.796622D+01 -0.434086D+01 -0.637389D+01
               136           137           138           139           140 
      1   0.123595D+00  0.656618D+00  0.403813D+00 -0.513320D+00  0.369479D+01
      2   0.419135D+00  0.184157D+00  0.572447D+00  0.868943D+00 -0.321768D+01
      3  -0.146527D+01  0.774944D+00 -0.265793D+00  0.473895D+01 -0.107876D+02
               141           142           143           144           145 
      1  -0.675182D+01  0.566982D+00 -0.405694D+01  0.709793D+01 -0.357835D+01
      2   0.219964D+01 -0.223037D+01  0.350971D+01 -0.333696D+01  0.659302D+01
      3   0.483364D+01 -0.254665D+01  0.644333D+01 -0.591627D+01  0.749927D+01
               146           147           148           149           150 
      1  -0.575742D+01 -0.127862D+01 -0.484423D+01 -0.990637D+01 -0.181291D+01
      2   0.463675D+01 -0.120674D+01  0.534975D+01  0.816677D+01 -0.171032D+01
      3   0.550253D+01 -0.128108D+01  0.856488D+01  0.114668D+02 -0.292564D+01
               151           152           153           154           155 
      1  -0.110691D+01  0.732518D+00 -0.128557D+01  0.438350D+01 -0.583548D+01
      2  -0.129112D+01 -0.687479D+00  0.840038D+00  0.989649D+01 -0.430377D+01
      3   0.123873D+01  0.460210D+00  0.143516D+01 -0.407782D+00  0.218809D+00
               156           157           158           159           160 
      1  -0.224529D+01 -0.494005D+01  0.779504D+01  0.246441D+01 -0.229550D+01
      2  -0.408709D+01 -0.664750D+01  0.623768D+01  0.570201D+01 -0.538056D+01
      3  -0.205205D+00  0.257198D+01 -0.750334D+00 -0.943307D+00  0.405877D+00
               161           162           163           164           165 
      1   0.468813D+01  0.390660D+01  0.121640D+01  0.187986D+01  0.232697D+01
      2   0.381454D+01  0.558489D+01 -0.289618D+01 -0.611902D+00  0.425083D+01
      3  -0.158835D-01 -0.985876D+00 -0.189036D+01 -0.280038D+01 -0.261479D+00
               166           167           168           169           170 
      1   0.339519D+00 -0.104924D+01  0.236698D+00  0.127294D+01  0.268669D+01
      2   0.878530D+00  0.161217D+01  0.211562D+00 -0.356653D+01 -0.151000D+00
      3   0.180014D+00  0.194387D+01 -0.143199D+01 -0.192964D+01 -0.172734D+01
               171           172           173           174           175 
      1   0.296610D+01 -0.278446D+01 -0.130919D+01  0.421286D+01 -0.985362D+00
      2   0.359108D+01 -0.332686D+01 -0.818782D+00  0.713848D+01 -0.138205D+01
      3  -0.786125D+00 -0.283456D+01 -0.104768D+01  0.347011D+01 -0.122590D+00
               176           177           178           179           180 
      1  -0.252821D+01  0.218527D+01  0.513781D+01  0.447544D+01 -0.115418D+02
      2  -0.261767D+01  0.486617D+01  0.601572D+01  0.649584D+00 -0.203721D+02
      3  -0.169664D+01  0.364105D+01  0.347734D+01  0.572850D+01 -0.520413D+01
               181           182           183           184           185 
      1   0.937381D+00  0.360760D+00 -0.167805D+01  0.372726D+00  0.242375D+01
      2  -0.975490D+00 -0.312427D+01 -0.557152D+00 -0.193538D+01 -0.468539D+01
      3   0.800242D+01  0.130186D+02  0.249428D+01  0.789305D+01  0.283556D+02
               186           187           188           189           190 
      1  -0.395647D+01  0.300261D+00  0.117523D-01 -0.139573D+01  0.568200D+01
      2  -0.279287D+01 -0.187011D+00 -0.327950D+01 -0.234039D+01  0.105966D+02
      3   0.492822D+01  0.168348D+01  0.369593D+01  0.323039D+01 -0.367650D+01
               191           192           193           194           195 
      1  -0.204884D+01  0.491107D+01 -0.233493D+01  0.172753D+01 -0.187677D+01
      2  -0.470910D+01  0.105013D+02 -0.374145D+01  0.289628D+01 -0.204452D+01
      3  -0.361983D+01 -0.722945D+00 -0.929956D+00  0.436325D+01 -0.377503D+00
               196           197           198           199           200 
      1   0.481342D+01 -0.632627D+00  0.361449D+01 -0.917704D+00  0.501744D+00
      2   0.918483D+01 -0.338863D+01  0.787807D+01  0.994242D+00 -0.636459D+00
      3  -0.347961D+00 -0.389028D+01 -0.114674D+01  0.109011D+01  0.262850D+00
               201           202           203           204           205 
      1  -0.738674D+00  0.132877D+01  0.565321D+01 -0.243412D+01 -0.596189D+01
      2   0.143843D+00 -0.243348D+01 -0.555491D+00  0.154731D+01 -0.127468D+01
      3  -0.258007D+00  0.469360D+01 -0.350361D+01  0.106765D+00  0.117169D+01
               206           207           208           209           210 
      1   0.109665D+01  0.343860D+00 -0.162607D+01  0.162414D+00  0.301484D+00
      2   0.118375D+01 -0.124070D-01 -0.410306D+01  0.159033D+00  0.841286D+00
      3  -0.141560D-01 -0.162130D+01  0.403546D+01  0.159800D+01  0.142395D+00
               211           212           213           214           215 
      1   0.174305D+01 -0.861984D+00 -0.384125D+01 -0.642719D+01  0.203784D+00
      2   0.270704D+01 -0.290010D+01 -0.222662D+01 -0.106382D+02 -0.189064D+01
      3   0.492392D+01  0.112260D+02  0.214747D+01  0.133660D+01  0.223920D+01
               216           217           218           219           220 
      1   0.211226D-01  0.107885D+00 -0.916752D+00  0.717185D+00 -0.290364D+01
      2   0.616898D+00  0.113222D+01 -0.257510D+01  0.275005D+01 -0.452051D+01
      3   0.120172D+01  0.212437D+00 -0.356161D+01  0.179494D+01 -0.923887D+01
               221           222           223           224           225 
      1   0.503482D+01 -0.465519D+01  0.306903D+01 -0.309762D+01  0.344277D+01
      2   0.104482D+02 -0.101753D+02  0.868834D+01 -0.121012D+02  0.819555D+01
      3   0.243010D+02 -0.750242D+01  0.541734D+01 -0.128690D+02  0.952677D+01
               226           227           228           229           230 
      1   0.626754D+00 -0.324738D+00 -0.113815D+01  0.102348D+00 -0.627398D-01
      2   0.300540D+00 -0.373732D+01 -0.546939D+01  0.789993D+00 -0.810429D+01
      3  -0.923636D+00  0.916975D+00  0.321658D+01 -0.305115D+01  0.970061D+01
               231           232           233           234           235 
      1  -0.250957D+01  0.199329D+01 -0.133063D+00 -0.565273D+01 -0.182832D+01
      2  -0.105844D+02  0.635611D+01 -0.143763D+02 -0.323046D+02  0.353260D+00
      3   0.702590D+01  0.839455D+00  0.874131D+01  0.117196D+02 -0.154381D+02
               236           237           238           239           240 
      1  -0.131507D+01  0.191818D+00 -0.114195D+01 -0.778232D+00 -0.814559D+00
      2  -0.161252D+00  0.648326D+01 -0.100743D+01  0.198933D+00  0.319060D+01
      3  -0.109839D+02  0.184861D+01 -0.897413D+01 -0.782938D+01  0.587897D+00
               241           242           243 
      1   0.103632D+01  0.586535D+00 -0.343433D+00
      2   0.287537D+01  0.136473D+00 -0.203614D+01
      3   0.178634D+01  0.231047D+00 -0.479600D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.736428D+01  0.601657D+01 -0.983789D+01  0.213591D+01  0.214154D+02
      2   0.731728D+01 -0.197021D+02  0.131475D+02 -0.146462D+02 -0.136097D+02
      3  -0.146816D+02  0.136855D+02 -0.330961D+01  0.125102D+02 -0.780570D+01
      4   0.791085D+01  0.827480D+01  0.135531D+02  0.110420D+02 -0.401931D+00
      5  -0.240574D+02  0.127004D+02 -0.280648D+02  0.131179D+02  0.276798D+01
      6   0.778495D+01  0.696842D+01  0.123440D+02  0.718393D+01  0.785905D+01
                 6             7             8             9            10 
      1   0.105690D+02 -0.443717D+01  0.133125D+02 -0.200116D+02 -0.440518D+01
      2   0.201459D+00  0.945219D+01 -0.231219D+01  0.112724D+02 -0.111517D+01
      3  -0.107705D+02 -0.501502D+01 -0.110004D+02  0.873918D+01  0.552035D+01
      4  -0.821558D+01  0.162846D+02 -0.630879D+01  0.315644D+01 -0.201341D+02
      5  -0.706248D+00 -0.278992D+02  0.562652D+01 -0.863674D+01  0.135265D+02
      6  -0.254708D+01  0.121526D+02 -0.249972D+01 -0.662427D+01 -0.112989D+02
                11            12            13            14            15 
      1  -0.851648D+01  0.202077D+01  0.299444D+01 -0.295417D+02 -0.112796D+02
      2   0.137128D+02 -0.223520D+01  0.121249D+00  0.145055D+02  0.268741D+01
      3  -0.519631D+01  0.214425D+00 -0.311569D+01  0.150362D+02  0.859218D+01
      4  -0.137590D+02 -0.144974D+02 -0.201876D+02 -0.225199D+02  0.620494D+01
      5  -0.131372D+02  0.176507D+02 -0.162772D+02  0.125087D+01  0.771059D+01
      6   0.930928D+01 -0.287223D+01  0.226901D+01 -0.125532D+02 -0.144409D+01
                16            17            18            19            20 
      1   0.257474D+01 -0.192149D+02  0.181369D+02  0.430896D+02  0.141789D+02
      2   0.610784D+01  0.835275D+01 -0.133122D+02 -0.177217D+02 -0.139980D+02
      3  -0.868258D+01  0.108622D+02 -0.482468D+01 -0.253679D+02 -0.180828D+00
      4  -0.244710D+02  0.157532D+02  0.202324D+01  0.285551D+02 -0.687595D+01
      5   0.272676D+02  0.273324D+01 -0.104841D+02  0.119161D+02  0.381761D+01
      6  -0.406781D+01 -0.989114D+00  0.924360D+01  0.115614D+02  0.131612D+01
                21            22            23            24            25 
      1  -0.443574D+01  0.194022D+01  0.360476D+01  0.351771D+01 -0.244293D+02
      2  -0.213044D+01 -0.280162D+01 -0.663701D+01 -0.200463D+01 -0.783077D+01
      3   0.656618D+01  0.861405D+00  0.303225D+01 -0.151308D+01  0.322600D+02
      4   0.572548D+01 -0.476146D+01 -0.159892D+01 -0.456453D+01  0.151665D+02
      5  -0.809552D+01  0.754434D+01 -0.809868D+00  0.500042D+01 -0.202287D+02
      6   0.981570D+00  0.135089D+01  0.453044D+01  0.291335D+01 -0.226317D+01
                26            27            28            29            30 
      1   0.970505D+01  0.113623D+02 -0.119768D+03 -0.443923D+01  0.816255D+01
      2  -0.788178D+01  0.143270D+02  0.476799D+02 -0.220284D+00 -0.218912D+01
      3  -0.182327D+01 -0.256893D+02  0.720878D+02  0.465952D+01 -0.597343D+01
      4  -0.122919D+02  0.323754D+01 -0.171675D+02 -0.981886D+01  0.225557D+01
      5   0.358954D+01  0.167849D+02 -0.114500D+02  0.224166D+01 -0.110694D+02
      6   0.391849D+01 -0.106113D+01 -0.905529D+01 -0.393497D+01  0.219490D+01
                31            32            33            34            35 
      1   0.417446D+02  0.450501D+01  0.251144D+01  0.413105D+02  0.790862D+01
      2  -0.193719D+02 -0.319510D+01 -0.254680D+01 -0.108325D+02 -0.515981D+01
      3  -0.223727D+02 -0.130991D+01  0.353579D-01 -0.304780D+02 -0.274881D+01
      4   0.444816D-02 -0.340944D+01 -0.170792D+01  0.349935D+01  0.624697D+01
      5  -0.288032D+01 -0.295834D+01  0.202184D+01 -0.283634D+01 -0.168534D+01
      6  -0.109113D+01 -0.972497D+01 -0.249486D+01  0.565038D+00  0.374449D+01
                36            37            38            39            40 
      1  -0.272190D+02  0.135877D+03  0.838299D+01 -0.129604D+02 -0.416289D+02
      2  -0.134882D+01 -0.485272D+02 -0.114377D+01  0.315825D+01  0.201147D+02
      3   0.285678D+02 -0.873497D+02 -0.723922D+01  0.980218D+01  0.215141D+02
      4  -0.209155D+01  0.227121D+02  0.231033D+02 -0.328083D+01  0.239349D+02
      5   0.105064D+02  0.555468D+01 -0.898432D+00  0.184975D+02  0.141577D+01
      6  -0.329358D+01  0.917413D+01  0.297482D+01 -0.419971D+01  0.212881D+01
                41            42            43            44            45 
      1   0.930198D+01  0.939219D+01 -0.373645D+02  0.105385D+01  0.356459D+01
      2  -0.845808D+01 -0.384201D+01  0.173016D+02 -0.252680D+01 -0.622988D+01
      3  -0.843903D+00 -0.555018D+01  0.200629D+02  0.147295D+01  0.266530D+01
      4   0.714454D+01  0.308006D+01 -0.938361D+01  0.602825D+00 -0.273469D+01
      5   0.566618D+01 -0.732026D+01  0.235960D+02 -0.371703D+01 -0.548854D+01
      6  -0.265781D+01  0.520118D+01 -0.106884D+02  0.474637D+01 -0.427085D+00
                46            47            48            49            50 
      1  -0.534989D+02  0.128821D+02  0.460382D+01 -0.383677D+02 -0.243475D+02
      2   0.134640D+02 -0.934913D+01 -0.619414D+01  0.868243D+00 -0.174304D+01
      3   0.400348D+02 -0.353299D+01  0.159032D+01  0.374995D+02  0.260905D+02
      4  -0.164481D+01 -0.282351D+02 -0.585731D+01 -0.776394D+02 -0.471494D+02
      5   0.659736D+01 -0.928694D+01 -0.182977D+02 -0.265135D+02 -0.600380D+01
      6  -0.114623D+02  0.307970D+01  0.327522D+01 -0.867996D+01 -0.638124D+01
                51            52            53            54            55 
      1  -0.685523D+01  0.428793D+01 -0.106095D+02 -0.225179D+01  0.334864D+02
      2   0.689725D+01 -0.560540D+01  0.176476D+00 -0.377335D+01 -0.130727D+02
      3  -0.420221D-01  0.131747D+01  0.104330D+02  0.602514D+01 -0.204137D+02
      4  -0.267055D+00 -0.244260D+02 -0.251181D+01 -0.344818D+01  0.249969D+02
      5  -0.423545D+01  0.344737D+01 -0.434049D+01  0.146135D+01  0.752044D+01
      6  -0.743492D+01  0.535524D+00  0.400501D+01 -0.457275D+01  0.280865D+01
                56            57            58            59            60 
      1   0.113015D+02  0.256523D+01  0.726142D+02  0.777981D+01 -0.293359D+01
      2  -0.209169D+01 -0.229416D+00 -0.166852D+02  0.287582D+02 -0.233306D+00
      3  -0.920982D+01 -0.233582D+01 -0.559289D+02 -0.365380D+02  0.316690D+01
      4   0.277277D+02  0.520230D+01  0.826246D+02  0.820063D+02  0.475381D+01
      5   0.639216D+01  0.133915D+02  0.126662D+02  0.110464D+02  0.158866D+02
      6   0.145190D+01  0.204760D+01  0.100982D+02  0.714646D+01  0.155436D+02
                61            62            63            64            65 
      1   0.189914D+02  0.476161D+01  0.170641D+00 -0.314949D+02  0.264613D+02
      2  -0.702715D+01 -0.134705D+01 -0.156136D+00  0.126847D+02 -0.249104D+02
      3  -0.119643D+02 -0.341456D+01 -0.145050D-01  0.188102D+02 -0.155090D+01
      4   0.177777D+02  0.796084D+01  0.205526D+02  0.234289D+02  0.105716D+02
      5   0.219164D+02  0.204234D+02  0.999303D+01 -0.173623D+02  0.182480D+02
      6   0.103497D+02  0.137928D+02  0.659242D+01  0.122824D+02 -0.150680D+02
                66            67            68            69            70 
      1  -0.124127D+02  0.166577D+02  0.320459D+02  0.209803D+02 -0.218661D+02
      2  -0.442844D+01 -0.141292D+02 -0.284329D+02 -0.135537D+02 -0.260919D+01
      3   0.168411D+02 -0.252846D+01 -0.361299D+01 -0.742665D+01  0.244753D+02
      4   0.226126D+02  0.101561D+02  0.641933D+01 -0.793205D+01  0.294797D+02
      5  -0.191193D+02  0.198089D+02 -0.587467D+01 -0.127027D+02 -0.272034D+02
      6   0.613060D+01 -0.115166D+02 -0.151928D+01  0.315971D+01  0.846389D+01
                71            72            73            74            75 
      1   0.243493D+02 -0.257845D+02 -0.373627D+00 -0.170674D+02  0.229190D+02
      2  -0.144874D+02  0.253725D+02 -0.156580D+01  0.118655D+02 -0.135582D+02
      3  -0.986191D+01  0.411986D+00  0.193943D+01  0.520186D+01 -0.936078D+01
      4  -0.134028D+02  0.136514D+01 -0.158076D+02  0.241871D+01  0.321721D+01
      5  -0.535184D+01  0.299182D+02  0.113605D+02 -0.281499D+01 -0.213001D+02
      6   0.362777D+01 -0.596654D+01  0.439611D+01 -0.786223D+01 -0.729709D+01
                76            77            78            79            80 
      1  -0.193229D+02  0.139071D+02 -0.588283D+01  0.253406D+02 -0.195308D+00
      2   0.190032D+02  0.953335D+00  0.468684D+01 -0.141956D+02  0.943702D+00
      3   0.319700D+00 -0.148605D+02  0.119599D+01 -0.111450D+02 -0.748394D+00
      4   0.983616D+01  0.386910D+02 -0.405559D+01 -0.330165D+01 -0.992886D+01
      5  -0.108202D+02  0.210851D+01 -0.132756D+02 -0.375182D+02 -0.187102D+02
      6  -0.276949D+01  0.105625D+01 -0.575422D+01 -0.153821D+02 -0.737357D+01
                81            82            83            84            85 
      1  -0.224461D+02 -0.201538D+02 -0.350622D+01 -0.150717D+02  0.666742D+00
      2   0.150002D+02  0.169182D+02  0.886919D+01  0.147500D+02  0.305352D+01
      3   0.744590D+01  0.323562D+01 -0.536297D+01  0.321761D+00 -0.372026D+01
      4  -0.239395D+02 -0.234047D+01  0.103773D+02 -0.457678D+01  0.114292D+02
      5  -0.126851D+02 -0.812833D+01  0.224917D+01  0.675818D+00  0.621788D+01
      6  -0.101663D+02 -0.109036D+02  0.613803D+01  0.333201D+01  0.374206D+01
                86            87            88            89            90 
      1   0.135133D+02 -0.696685D+01 -0.184183D+02 -0.146639D+02  0.149728D+02
      2  -0.785822D+01  0.114297D+02  0.167473D+02  0.214641D+02 -0.171531D+02
      3  -0.565506D+01 -0.446284D+01  0.167096D+01 -0.680022D+01  0.218026D+01
      4  -0.321484D+01  0.133554D+02 -0.458827D+01  0.188695D+02 -0.158297D+01
      5   0.712155D+01 -0.204709D+01  0.362175D+01 -0.444797D+01  0.470382D+00
      6   0.199312D+02 -0.141015D+02  0.455910D+01 -0.201790D+02  0.303640D+01
                91            92            93            94            95 
      1  -0.253074D+02 -0.414299D+02 -0.172087D+01 -0.597370D+02 -0.145826D+02
      2   0.148708D+02  0.222439D+02  0.305406D+01  0.321422D+02  0.444528D+01
      3   0.104366D+02  0.191860D+02 -0.133319D+01  0.275948D+02  0.101373D+02
      4  -0.489889D+02  0.495306D+01  0.160069D+02 -0.187405D+02  0.282648D+02
      5  -0.859595D+01  0.173007D+02  0.159394D+02  0.191993D+02 -0.103816D+02
      6   0.720277D+01 -0.424490D+01 -0.636855D+01 -0.462362D+01  0.631995D+01
                96            97            98            99           100 
      1   0.163696D+02 -0.133381D+02  0.174853D+02  0.147608D+02  0.516435D+02
      2  -0.752633D+00  0.996725D+00  0.240087D+01 -0.426422D+01 -0.255629D+02
      3  -0.156169D+02  0.123414D+02 -0.198862D+02 -0.104966D+02 -0.260806D+02
      4  -0.108022D+02  0.202453D+02 -0.181952D+02  0.279714D+02  0.269113D+02
      5   0.228190D+02 -0.230786D+01  0.301352D+02  0.223360D+02 -0.227449D+02
      6  -0.622571D+01  0.310130D+01 -0.107972D+02 -0.910626D+01 -0.600625D+01
               101           102           103           104           105 
      1   0.114722D+02 -0.191284D+02  0.436106D+01  0.460634D+01  0.111194D+00
      2  -0.335294D+01  0.999420D+01  0.561650D-01 -0.687772D+00 -0.162821D+01
      3  -0.811927D+01  0.913421D+01 -0.441723D+01 -0.391857D+01  0.151702D+01
      4   0.151475D+02 -0.892887D+01  0.123957D+02  0.598265D+01 -0.557089D+01
      5  -0.449525D+01  0.182283D+02 -0.220475D+01 -0.541721D+01  0.367917D+01
      6  -0.198230D+01  0.563078D+01 -0.273460D+01 -0.286028D+01  0.436698D+01
               106           107           108           109           110 
      1  -0.310380D+02 -0.406997D+01  0.163733D+02  0.203703D+02  0.864569D+01
      2   0.168650D+02 -0.505941D+00 -0.117573D+02 -0.113958D+02 -0.415420D+01
      3   0.141730D+02  0.457591D+01 -0.461599D+01 -0.897449D+01 -0.449150D+01
      4  -0.164256D+02 -0.118359D+02  0.133449D+02  0.179083D+02  0.111643D+02
      5   0.252826D+02  0.866585D+01 -0.197427D+02  0.160470D+02  0.746074D+01
      6   0.817195D+01  0.524082D+01 -0.662506D+01  0.763090D+01  0.457422D+01
               111           112           113           114           115 
      1   0.715328D+01  0.652949D+01 -0.150423D+01  0.369569D+00  0.148733D+02
      2  -0.486083D+01 -0.185281D+01  0.459751D+01  0.156414D+01 -0.113439D+02
      3  -0.229245D+01 -0.467669D+01 -0.309328D+01 -0.193371D+01 -0.352942D+01
      4   0.910600D+01  0.144600D+02  0.109768D+02  0.115554D+02  0.212650D+02
      5   0.175374D+02  0.801932D+01  0.994502D+01  0.984310D+01  0.324170D+02
      6   0.654511D+01  0.691678D+01  0.803786D+01  0.960306D+01  0.150317D+02
               116           117           118           119           120 
      1   0.163635D+01  0.697517D+01 -0.268921D+01 -0.352686D-01  0.179164D+01
      2   0.687374D+00 -0.130516D+02 -0.578605D+01  0.940363D+00  0.455229D+01
      3  -0.232373D+01  0.607644D+01  0.847525D+01 -0.905094D+00 -0.634392D+01
      4   0.200739D+02  0.212507D+02 -0.200826D+01  0.404335D+01 -0.365693D+00
      5   0.169771D+02  0.378563D+02 -0.103574D+02  0.647268D+00  0.134500D+02
      6   0.134617D+02  0.196988D+02 -0.774405D+00 -0.146481D+01 -0.274748D-01
               121           122           123           124           125 
      1   0.731194D+01 -0.464364D+01 -0.243971D+01  0.106915D+02  0.585249D+00
      2  -0.203030D+01 -0.297627D+00 -0.919020D+00  0.672310D+01 -0.317647D+01
      3  -0.528164D+01  0.494127D+01  0.335873D+01 -0.174146D+02  0.259122D+01
      4   0.561985D+01  0.109935D+01 -0.312976D+01 -0.350831D+00 -0.360231D+01
      5   0.197837D+01 -0.313257D+01 -0.198088D+01  0.196360D+02 -0.178359D+01
      6  -0.146738D+01  0.154107D+01  0.726243D+01  0.202812D+01  0.459161D+01
               126           127           128           129           130 
      1  -0.246235D+02 -0.308039D+01  0.816549D+01  0.550014D+01  0.490471D+01
      2  -0.193975D+02  0.314465D+01 -0.103891D+02 -0.523259D+01 -0.583148D+01
      3   0.440209D+02 -0.642585D-01  0.222366D+01 -0.267552D+00  0.926766D+00
      4  -0.104211D+01 -0.585018D+01  0.134404D+01  0.301553D+01  0.273505D+01
      5  -0.249697D+02  0.136619D+00 -0.370013D+00 -0.524178D+00 -0.403650D+00
      6  -0.102459D+01  0.618575D+01 -0.407459D+01 -0.617550D+01 -0.281035D+01
               131           132           133           134           135 
      1  -0.121998D+02 -0.464474D+01  0.952744D+01 -0.929750D+01 -0.134845D+02
      2   0.143675D+02  0.461728D+01 -0.652340D+01  0.102850D+02  0.908094D+01
      3  -0.216768D+01  0.274578D-01 -0.300404D+01 -0.987484D+00  0.440352D+01
      4  -0.124635D+01 -0.128106D+01  0.587346D+01 -0.141296D+00 -0.207330D+01
      5   0.426271D+00  0.102784D+01 -0.132063D+00  0.190416D+01  0.334883D+01
      6   0.440155D+01  0.845656D+01 -0.533796D+01  0.112422D+02  0.128461D+02
               136           137           138           139           140 
      1  -0.150880D+01  0.389715D+01 -0.626752D+00  0.246491D+01 -0.335055D+02
      2   0.299379D+01 -0.251745D+01 -0.356458D+00 -0.230987D+00  0.443349D+02
      3  -0.148498D+01 -0.137970D+01  0.983210D+00 -0.223392D+01 -0.108294D+02
      4   0.464551D+01  0.812955D+01 -0.302974D+01  0.799361D+01  0.193722D+02
      5  -0.640170D+00 -0.298632D+01  0.374704D+01 -0.207311D+01 -0.856677D+01
      6  -0.321974D+01 -0.475167D+00 -0.621243D+00 -0.850553D+00 -0.277276D+02
               141           142           143           144           145 
      1   0.160047D+02 -0.148097D+00  0.237790D+02 -0.191572D+02 -0.743824D+01
      2  -0.176469D+02 -0.197414D+01 -0.250379D+02  0.140040D+02  0.637907D+01
      3   0.164224D+01  0.212224D+01  0.125890D+01  0.515322D+01  0.105918D+01
      4  -0.890898D+01 -0.411885D+01 -0.141022D+02  0.858648D+01  0.163093D+01
      5   0.540183D+01  0.300927D+01  0.926148D+01 -0.773572D+01 -0.298156D+01
      6   0.193925D+02  0.350459D+00  0.263305D+02 -0.219961D+02 -0.536605D+01
               146           147           148           149           150 
      1  -0.108315D+02  0.636624D+01 -0.843464D+01 -0.234379D+02  0.702180D+01
      2   0.119912D+02 -0.204081D+01  0.996160D+01  0.269620D+02 -0.226428D+01
      3  -0.115971D+01 -0.432543D+01 -0.152697D+01 -0.352406D+01 -0.475752D+01
      4  -0.606932D+00 -0.974448D+00  0.135787D+01 -0.846432D+01  0.277404D+01
      5  -0.445732D+01  0.269164D+01 -0.611200D+01 -0.259919D+01 -0.245222D+01
      6  -0.962510D+01  0.341412D+01 -0.649694D+01 -0.189847D+02  0.929566D+01
               151           152           153           154           155 
      1   0.141194D+01  0.422777D+00 -0.227756D+01 -0.687342D+01  0.292836D+01
      2   0.201354D+00  0.215057D+01  0.813571D+00 -0.211028D+01  0.326191D+01
      3  -0.161330D+01 -0.257335D+01  0.146399D+01  0.898369D+01 -0.619027D+01
      4  -0.117440D+01 -0.814723D+00 -0.509481D+00  0.305525D+01 -0.329280D+01
      5   0.293553D+01 -0.426919D+00  0.104017D+00 -0.218514D+01  0.801948D+00
      6   0.150088D+01  0.522381D+01 -0.184312D+01  0.258582D+01 -0.576163D+01
               156           157           158           159           160 
      1   0.992513D+01  0.499920D+01 -0.950663D+01 -0.103838D+02  0.572245D+01
      2   0.222903D+01  0.118213D+01  0.199145D+01 -0.407498D+01  0.160659D+01
      3  -0.121542D+02 -0.618132D+01  0.751519D+01  0.144588D+02 -0.732905D+01
      4  -0.337793D+01 -0.372211D+01  0.656894D+01  0.435539D+01 -0.334754D+01
      5   0.351379D+01  0.162485D+01 -0.503741D+00  0.389615D+01  0.565216D+01
      6  -0.271541D+01 -0.431182D+01  0.812590D+01  0.559033D+01 -0.344965D+01
               161           162           163           164           165 
      1  -0.618205D+01 -0.103422D+02  0.167726D+02 -0.179824D+01  0.421682D+01
      2  -0.245130D+01 -0.681722D+01 -0.189180D+02  0.338237D+01 -0.164998D+02
      3   0.863335D+01  0.171594D+02  0.214547D+01 -0.158412D+01  0.122830D+02
      4   0.288636D+01  0.339813D+01 -0.136820D+02  0.984969D+01 -0.105468D+02
      5  -0.681621D+00  0.170537D+01  0.351252D+02 -0.106212D+02  0.332220D+02
      6   0.616366D+01  0.435441D+01 -0.864270D+01  0.739491D+01 -0.997538D+01
               166           167           168           169           170 
      1  -0.755349D+00 -0.185726D+01  0.123607D+01  0.433988D+01  0.112074D+01
      2   0.150644D+01  0.307615D+00  0.231558D+00 -0.136014D+02  0.189980D+01
      3  -0.751091D+00  0.154965D+01 -0.146762D+01  0.926148D+01 -0.302054D+01
      4   0.710835D+01 -0.583172D+01  0.724998D+01 -0.830870D+01  0.606580D+01
      5  -0.561673D+01  0.730098D+01 -0.539906D+01  0.261403D+02 -0.852753D+01
      6   0.497700D+01 -0.595130D+01  0.800588D+01 -0.764658D+01  0.742885D+01
               171           172           173           174           175 
      1  -0.281377D+01  0.177274D+02 -0.197496D+01 -0.103325D+02  0.630790D+01
      2  -0.177870D+02 -0.129418D+02  0.828435D+00  0.110867D+02 -0.452518D+01
      3   0.206008D+02 -0.478560D+01  0.114653D+01 -0.754250D+00 -0.178272D+01
      4  -0.873145D+01 -0.550597D+01  0.313450D+01  0.600974D+00  0.122231D+01
      5   0.308167D+02 -0.150547D+02 -0.176919D+01  0.201225D+02 -0.757790D+01
      6  -0.107987D+02  0.260677D+01  0.106633D+00 -0.539182D+01  0.291776D+00
               176           177           178           179           180 
      1  -0.183354D+01 -0.556787D+01 -0.145034D+02 -0.289497D+01  0.105904D+02
      2   0.173572D+00  0.780014D+01  0.152542D+02  0.528845D+01 -0.252331D+02
      3   0.165997D+01 -0.223227D+01 -0.750751D+00 -0.239348D+01  0.146427D+02
      4   0.366958D+01 -0.486141D+01  0.418233D+01 -0.860892D+01 -0.372594D+01
      5  -0.517960D+01  0.105113D+02  0.283587D+02  0.128544D+00 -0.478109D+02
      6  -0.302729D+00  0.179819D+01 -0.778960D+01  0.478346D+01  0.149469D+02
               181           182           183           184           185 
      1  -0.640002D+01 -0.194662D+02 -0.229383D+01 -0.138845D+02 -0.343143D+02
      2   0.699460D+01  0.212024D+02  0.251191D+01  0.937270D+01  0.470943D+02
      3  -0.594581D+00 -0.173622D+01 -0.218082D+00  0.451178D+01 -0.127800D+02
      4  -0.415033D+00 -0.828220D+01 -0.365762D+01  0.579544D+01 -0.325480D+02
      5   0.269977D+01 -0.221642D+01 -0.905022D+00  0.103630D+01 -0.384464D+01
      6   0.721557D+00  0.618226D+01  0.416834D+01  0.205046D+01  0.130192D+02
               186           187           188           189           190 
      1  -0.695383D+01  0.393532D+00 -0.700589D+01 -0.324258D+01  0.682499D+02
      2   0.641284D+01  0.124470D+01  0.507687D+01  0.251375D+01 -0.285206D+02
      3   0.540995D+00 -0.163824D+01  0.192902D+01  0.728834D+00 -0.397292D+02
      4  -0.478132D+01 -0.228879D+01 -0.217745D+01 -0.401691D+01 -0.410901D+02
      5  -0.473997D+01  0.368265D+01 -0.402817D+01 -0.482296D+01  0.161529D+02
      6   0.877892D+01  0.435065D+00  0.855474D+01  0.450238D+01 -0.735195D+01
               191           192           193           194           195 
      1  -0.198966D+02  0.163472D+02 -0.110307D+02  0.508581D+01 -0.415625D+01
      2   0.458583D+01 -0.563667D+01  0.184287D+00  0.439515D+01  0.324065D+00
      3   0.153107D+02 -0.107106D+02  0.108464D+02 -0.948096D+01  0.383218D+01
      4   0.224172D+02 -0.104617D+02  0.191772D+02 -0.157800D+02  0.642161D+01
      5  -0.598273D+01  0.160907D+02 -0.462582D+01  0.459876D+01 -0.204642D+01
      6   0.372923D+01 -0.711433D+01  0.348580D+01 -0.167221D+01  0.328391D+01
               196           197           198           199           200 
      1   0.319920D+02 -0.101808D+02  0.141910D+02  0.565631D+00  0.387085D+00
      2  -0.119754D+02  0.137451D+01 -0.875407D+01 -0.116272D+01  0.126036D-01
      3  -0.200166D+02  0.880628D+01 -0.543694D+01  0.597092D+00 -0.399689D+00
      4  -0.238577D+02  0.169000D+02 -0.997079D+01  0.104286D+01  0.238108D+01
      5   0.202504D+02 -0.687020D+01  0.132817D+02  0.530950D+00  0.144709D+01
      6  -0.877594D+01  0.450918D+01 -0.665417D+01  0.248524D+01  0.496294D+00
               201           202           203           204           205 
      1   0.697426D+00  0.499709D+01 -0.180275D+02 -0.802441D+01  0.203961D+01
      2  -0.564468D+00 -0.316538D+01  0.163879D+02  0.362338D+01 -0.350808D+01
      3  -0.132958D+00 -0.183171D+01  0.163961D+01  0.440104D+01  0.146847D+01
      4   0.102077D+01  0.159423D+01  0.523239D+01  0.193200D+01  0.204941D+01
      5   0.173240D+01  0.103192D+01  0.280457D+01  0.241741D+01  0.210272D+01
      6   0.801743D+00 -0.648265D+00  0.117909D+02  0.746466D+01  0.211436D+01
               206           207           208           209           210 
      1  -0.559050D+01 -0.276518D+01  0.168922D+01 -0.429521D+01 -0.161423D+01
      2   0.243912D+01  0.147732D+01  0.883645D+00  0.252748D+01  0.743628D+00
      3   0.315139D+01  0.128787D+01 -0.257287D+01  0.176772D+01  0.870600D+00
      4   0.630183D+00  0.151823D+01 -0.358835D+01  0.397358D+01  0.145218D+01
      5   0.226212D+01  0.106110D+01 -0.221046D+01  0.113169D+01  0.757179D+00
      6   0.557576D+01  0.434711D+01  0.668327D+00 -0.103103D+01 -0.501085D-01
               211           212           213           214           215 
      1  -0.298546D+01 -0.154165D+02 -0.238005D+01 -0.285174D+01 -0.259920D+01
      2   0.433625D+00  0.214712D+02  0.280625D+01 -0.386975D+00  0.392186D+01
      3   0.255184D+01 -0.605467D+01 -0.426203D+00  0.323872D+01 -0.132266D+01
      4   0.541757D+01 -0.170446D+02 -0.318107D+01  0.354888D+01 -0.452516D+01
      5   0.143363D+01 -0.234322D+01 -0.198400D+01 -0.207533D+01 -0.168582D+01
      6  -0.119216D+01  0.113500D+01  0.379537D+01  0.198434D+01  0.255903D+01
               216           217           218           219           220 
      1  -0.301853D+01  0.177057D+02 -0.644373D+01  0.597838D+01 -0.220520D+02
      2   0.237453D+01 -0.626331D+01  0.133722D+01 -0.225837D+01  0.519166D+01
      3   0.644003D+00 -0.114424D+02  0.510651D+01 -0.372001D+01  0.168603D+02
      4  -0.230381D+01 -0.793134D+01  0.104495D+02 -0.662816D+01  0.325948D+02
      5  -0.981683D+00  0.692800D+01 -0.595301D+01  0.431018D+01 -0.545383D+01
      6   0.150159D+01 -0.301047D+01  0.975707D+00 -0.502788D+00  0.331713D+01
               221           222           223           224           225 
      1   0.973486D+01 -0.370597D+00  0.203637D+02 -0.735650D+01  0.174966D+01
      2   0.105604D+02 -0.517659D+01 -0.733767D+01 -0.315650D+01 -0.285301D+00
      3  -0.202952D+02  0.554718D+01 -0.130260D+02  0.105130D+02 -0.146436D+01
      4  -0.533505D+02  0.154450D+02 -0.192151D+02  0.276054D+02 -0.198799D+02
      5   0.167780D+02 -0.199837D+02  0.139698D+02 -0.212817D+02  0.171149D+02
      6  -0.748774D+01  0.750923D+01 -0.519452D+01  0.979285D+01 -0.673040D+01
               226           227           228           229           230 
      1   0.219697D+01 -0.525528D+00 -0.884477D+01 -0.825265D+01 -0.518511D+00
      2  -0.200551D+01 -0.142368D+00  0.210183D+01  0.376729D+01  0.139879D+01
      3  -0.191466D+00  0.667896D+00  0.674294D+01  0.448536D+01 -0.880281D+00
      4   0.340155D+01 -0.186637D+01 -0.262505D+01  0.131889D+02 -0.200804D+02
      5  -0.197829D+01 -0.333602D+01 -0.357695D+01  0.322706D+01 -0.123023D+02
      6   0.172122D+01  0.250013D+01  0.248772D+01 -0.184951D+01  0.769953D+01
               231           232           233           234           235 
      1  -0.580877D+01 -0.196425D+02 -0.552598D+01 -0.122756D+02  0.100851D+03
      2   0.157203D+01  0.136597D+02 -0.793803D+00 -0.984981D+01 -0.539599D+02
      3   0.423674D+01  0.598279D+01  0.631978D+01  0.221254D+02 -0.468912D+02
      4  -0.125072D+02  0.791762D+01 -0.158348D+02 -0.213572D+02  0.166711D+02
      5  -0.181344D+02  0.177376D+02 -0.229610D+02 -0.536775D+02 -0.122908D+02
      6   0.108194D+02 -0.448777D+01  0.125777D+02  0.177097D+02 -0.272444D+01
               236           237           238           239           240 
      1   0.211284D+02 -0.688967D+01  0.480110D+02  0.179368D+02 -0.500660D+01
      2  -0.126004D+02  0.504647D+01 -0.260676D+02 -0.818484D+01  0.293112D+01
      3  -0.852795D+01  0.184320D+01 -0.219435D+02 -0.975196D+01  0.207548D+01
      4   0.159766D+02 -0.260349D+01  0.213111D+02  0.139283D+02 -0.130239D+01
      5  -0.375659D+01  0.137408D+02 -0.776280D+01 -0.189753D+01  0.679259D+01
      6  -0.167292D+01 -0.420423D-01 -0.271082D+01 -0.241436D+01  0.210752D+01
               241           242           243 
      1  -0.186247D+01 -0.230469D+01  0.930192D+01
      2   0.255208D+01  0.804307D+00 -0.662953D+01
      3  -0.689607D+00  0.150039D+01 -0.267239D+01
      4  -0.203199D+01  0.687157D+00  0.100298D+01
      5   0.151257D+02  0.150829D+01 -0.566495D+01
      6   0.455334D+00  0.266788D+01  0.467583D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:37:15 2021, MaxMem=  5368709120 cpu:           19629.8 elap:            2461.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.12940 -10.27067 -10.20455 -10.20190 -10.19616
 Alpha  occ. eigenvalues --  -10.18830 -10.18671 -10.18606 -10.18298 -10.17743
 Alpha  occ. eigenvalues --  -10.17636  -1.04133  -0.87489  -0.80022  -0.75536
 Alpha  occ. eigenvalues --   -0.74589  -0.69626  -0.68375  -0.62342  -0.59714
 Alpha  occ. eigenvalues --   -0.53796  -0.52008  -0.49421  -0.47797  -0.46795
 Alpha  occ. eigenvalues --   -0.44939  -0.44286  -0.43318  -0.42360  -0.41407
 Alpha  occ. eigenvalues --   -0.39613  -0.39506  -0.38873  -0.37552  -0.36543
 Alpha  occ. eigenvalues --   -0.36154  -0.33871  -0.32730  -0.31692  -0.30330
 Alpha  occ. eigenvalues --   -0.26610  -0.25099
 Alpha virt. eigenvalues --   -0.05967  -0.01412  -0.00659   0.00207   0.00409
 Alpha virt. eigenvalues --    0.01607   0.01974   0.02216   0.02634   0.03048
 Alpha virt. eigenvalues --    0.03817   0.04019   0.04286   0.05330   0.05513
 Alpha virt. eigenvalues --    0.06043   0.06363   0.06638   0.07091   0.07570
 Alpha virt. eigenvalues --    0.07985   0.08622   0.08795   0.08951   0.09587
 Alpha virt. eigenvalues --    0.10041   0.10150   0.10407   0.10656   0.10961
 Alpha virt. eigenvalues --    0.11079   0.11388   0.11815   0.12188   0.12296
 Alpha virt. eigenvalues --    0.12679   0.13273   0.13460   0.13754   0.14257
 Alpha virt. eigenvalues --    0.14358   0.14528   0.14674   0.15163   0.15525
 Alpha virt. eigenvalues --    0.15850   0.16303   0.16353   0.17215   0.17466
 Alpha virt. eigenvalues --    0.17990   0.19222   0.19326   0.19703   0.19963
 Alpha virt. eigenvalues --    0.20250   0.21372   0.21535   0.22122   0.22750
 Alpha virt. eigenvalues --    0.23253   0.23636   0.23706   0.24471   0.24914
 Alpha virt. eigenvalues --    0.25560   0.25712   0.25831   0.26491   0.27359
 Alpha virt. eigenvalues --    0.27574   0.28214   0.28740   0.29484   0.29741
 Alpha virt. eigenvalues --    0.30117   0.30489   0.30907   0.31366   0.32081
 Alpha virt. eigenvalues --    0.32300   0.33026   0.33477   0.34112   0.34549
 Alpha virt. eigenvalues --    0.35126   0.35723   0.36096   0.36202   0.36867
 Alpha virt. eigenvalues --    0.37504   0.37719   0.37844   0.38150   0.38817
 Alpha virt. eigenvalues --    0.39379   0.39533   0.40053   0.40761   0.41234
 Alpha virt. eigenvalues --    0.41605   0.42143   0.42881   0.43045   0.43579
 Alpha virt. eigenvalues --    0.43874   0.44949   0.45476   0.45617   0.46064
 Alpha virt. eigenvalues --    0.46540   0.47540   0.48525   0.48841   0.49258
 Alpha virt. eigenvalues --    0.49595   0.50406   0.51328   0.52132   0.52561
 Alpha virt. eigenvalues --    0.52928   0.53215   0.53456   0.54418   0.54556
 Alpha virt. eigenvalues --    0.54992   0.55763   0.56067   0.56270   0.56738
 Alpha virt. eigenvalues --    0.57000   0.57133   0.58038   0.58245   0.58653
 Alpha virt. eigenvalues --    0.59547   0.60287   0.61374   0.62090   0.62123
 Alpha virt. eigenvalues --    0.62624   0.63352   0.64065   0.64194   0.64561
 Alpha virt. eigenvalues --    0.65378   0.65788   0.66398   0.66837   0.67172
 Alpha virt. eigenvalues --    0.67973   0.68367   0.69009   0.69237   0.70054
 Alpha virt. eigenvalues --    0.70837   0.71340   0.71675   0.72162   0.72835
 Alpha virt. eigenvalues --    0.73504   0.73869   0.74626   0.74750   0.75497
 Alpha virt. eigenvalues --    0.76525   0.77685   0.78357   0.78897   0.79480
 Alpha virt. eigenvalues --    0.79759   0.81124   0.81454   0.82098   0.82985
 Alpha virt. eigenvalues --    0.83704   0.84582   0.85956   0.86429   0.87194
 Alpha virt. eigenvalues --    0.88694   0.89424   0.89824   0.91120   0.91438
 Alpha virt. eigenvalues --    0.93229   0.93665   0.94757   0.96018   0.97544
 Alpha virt. eigenvalues --    0.98252   0.98550   0.99451   1.01158   1.02008
 Alpha virt. eigenvalues --    1.03014   1.03482   1.03933   1.04481   1.06534
 Alpha virt. eigenvalues --    1.07635   1.08535   1.11121   1.11213   1.12837
 Alpha virt. eigenvalues --    1.13307   1.16017   1.17502   1.18981   1.20210
 Alpha virt. eigenvalues --    1.21372   1.22582   1.23592   1.24116   1.25346
 Alpha virt. eigenvalues --    1.26993   1.29206   1.31749   1.32598   1.33347
 Alpha virt. eigenvalues --    1.35956   1.36974   1.38091   1.39047   1.40810
 Alpha virt. eigenvalues --    1.43400   1.44383   1.46091   1.47108   1.48084
 Alpha virt. eigenvalues --    1.48601   1.50261   1.50537   1.51267   1.52941
 Alpha virt. eigenvalues --    1.53988   1.55276   1.56292   1.57523   1.58151
 Alpha virt. eigenvalues --    1.58835   1.60408   1.61350   1.61531   1.63445
 Alpha virt. eigenvalues --    1.63751   1.64691   1.65748   1.66543   1.68187
 Alpha virt. eigenvalues --    1.68647   1.69289   1.71309   1.71901   1.73069
 Alpha virt. eigenvalues --    1.75461   1.76445   1.76486   1.76708   1.78100
 Alpha virt. eigenvalues --    1.79482   1.80262   1.80782   1.81726   1.82458
 Alpha virt. eigenvalues --    1.83370   1.85418   1.86453   1.88548   1.89944
 Alpha virt. eigenvalues --    1.91458   1.93114   1.94113   1.94804   1.95859
 Alpha virt. eigenvalues --    1.97030   1.98834   1.99201   2.00617   2.01405
 Alpha virt. eigenvalues --    2.03486   2.04016   2.04529   2.05929   2.06634
 Alpha virt. eigenvalues --    2.07849   2.09048   2.09477   2.11120   2.11782
 Alpha virt. eigenvalues --    2.12597   2.14281   2.15742   2.16717   2.17223
 Alpha virt. eigenvalues --    2.18938   2.19897   2.20396   2.22112   2.23090
 Alpha virt. eigenvalues --    2.24073   2.26239   2.27363   2.28636   2.30541
 Alpha virt. eigenvalues --    2.31917   2.33681   2.34785   2.36213   2.38206
 Alpha virt. eigenvalues --    2.39673   2.40188   2.42575   2.44195   2.45221
 Alpha virt. eigenvalues --    2.47385   2.48456   2.49221   2.51173   2.52070
 Alpha virt. eigenvalues --    2.53726   2.55761   2.57650   2.58797   2.59599
 Alpha virt. eigenvalues --    2.60263   2.62757   2.64040   2.64758   2.65258
 Alpha virt. eigenvalues --    2.67713   2.71732   2.74145   2.76001   2.76925
 Alpha virt. eigenvalues --    2.82560   2.85133   2.86042   2.87940   2.93650
 Alpha virt. eigenvalues --    3.00874   3.03093   3.05046   3.09312   3.19917
 Alpha virt. eigenvalues --    3.27898   3.35191   3.41903   3.44542   3.53068
 Alpha virt. eigenvalues --    3.59157   3.70583   3.83373   3.93794   5.06655
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.994119  -0.630868  -0.079499  -0.847502   0.280837  -0.010550
     2  C   -0.630868  10.747919  -4.437742   2.454709  -0.864242   0.076106
     3  C   -0.079499  -4.437742  22.040586  -8.179151   0.265236  -0.990373
     4  C   -0.847502   2.454709  -8.179151  21.454730  -6.244019  -0.847179
     5  C    0.280837  -0.864242   0.265236  -6.244019  14.818167  -2.020545
     6  C   -0.010550   0.076106  -0.990373  -0.847179  -2.020545   9.323943
     7  O   -0.001264   0.008591  -0.035104   0.090197  -0.020095   0.144703
     8  C   -0.278993  -0.563762  -0.090877  -0.148521  -0.044604   0.026247
     9  C   -0.525529  -1.778794   2.064961  -0.623691   0.038571  -0.058962
    10  C    0.137278   1.522310  -2.703910   0.077402  -0.818235  -0.111531
    11  C    0.011941  -0.022722   0.088196  -0.500495   0.189214   0.074059
    12  H    0.145788   0.337127  -0.103235   0.035358   0.062961   0.005471
    13  H   -0.006836  -0.183225   0.287604  -0.057877  -0.009522  -0.003751
    14  H    0.185864   0.734269  -2.986587   0.702501   0.252523  -0.028001
    15  H    0.164356   0.263417  -0.243086  -0.495153   0.177230  -0.024091
    16  H   -0.110572  -0.314346   0.599243   0.468495   0.021185   0.020549
    17  H    0.141380   0.001740  -0.387870  -0.118468   0.183875  -0.012770
    18  H   -0.135100   0.695214  -0.075481  -0.059898  -0.012074  -0.018653
    19  H    0.141516  -0.284002   0.282428   0.018962   0.026385   0.018667
    20  H   -0.074909   0.461822  -0.370200   0.211892   0.000714   0.007217
    21  H   -0.013416   0.125562   0.017338  -0.034793  -0.032210  -0.009232
    22  H    0.095017  -0.275264   0.252258  -0.103771   0.012008   0.000131
    23  H    0.018886  -0.355381   0.643821  -2.668707   0.537246   0.059572
    24  H    0.017551   0.148817  -1.035571   0.399683  -2.225948   0.497398
    25  H   -0.002386   0.000377  -0.004479   0.024925  -0.158168   0.045694
    26  H    0.000384   0.003392   0.003231  -0.016704  -0.064574   0.007610
    27  H    0.001392  -0.002658   0.000874  -0.012596   0.319625  -0.030198
               7          8          9         10         11         12
     1  C   -0.001264  -0.278993  -0.525529   0.137278   0.011941   0.145788
     2  C    0.008591  -0.563762  -1.778794   1.522310  -0.022722   0.337127
     3  C   -0.035104  -0.090877   2.064961  -2.703910   0.088196  -0.103235
     4  C    0.090197  -0.148521  -0.623691   0.077402  -0.500495   0.035358
     5  C   -0.020095  -0.044604   0.038571  -0.818235   0.189214   0.062961
     6  C    0.144703   0.026247  -0.058962  -0.111531   0.074059   0.005471
     7  O    8.579980  -0.004059   0.001613   0.006819  -0.057065   0.000005
     8  C   -0.004059   5.949154  -0.285482  -0.042891  -0.000763  -0.267506
     9  C    0.001613  -0.285482   8.822565  -1.440760  -0.006657  -0.902136
    10  C    0.006819  -0.042891  -1.440760   9.130120  -0.056672   0.052398
    11  C   -0.057065  -0.000763  -0.006657  -0.056672   4.984145   0.000100
    12  H    0.000005  -0.267506  -0.902136   0.052398   0.000100   3.044867
    13  H    0.000080   0.128068  -0.708447   0.151961   0.000114  -0.758832
    14  H    0.005779  -0.064405  -0.518842   0.265873   0.003303   0.037298
    15  H   -0.000030   0.031175  -0.161976  -0.642811   0.004437   0.253279
    16  H    0.000420   0.031675   0.282683  -1.080100  -0.002339  -0.266271
    17  H   -0.003033  -0.030554  -0.008271   0.166793   0.003865  -0.009594
    18  H   -0.000737  -0.058845  -0.164041  -0.054188  -0.010221   0.019697
    19  H    0.000470   0.103411   0.011605  -0.151293   0.002488   0.043032
    20  H   -0.000305  -0.125746  -0.109535   0.174791   0.000534  -0.041915
    21  H   -0.000853   0.375750  -0.129338  -0.005555   0.000084  -0.002166
    22  H   -0.000002  -0.010350   0.215197  -0.079683  -0.000571  -0.031439
    23  H   -0.066444   0.004063   0.165557  -0.087838   0.014656   0.011215
    24  H   -0.069269   0.022571  -0.087304   0.401134  -0.264539   0.000352
    25  H    0.024282  -0.000387   0.000141  -0.012059   0.405812   0.000378
    26  H    0.029018  -0.000110  -0.000894  -0.017805   0.368576  -0.000288
    27  H   -0.019216   0.000409  -0.000270   0.007881  -0.134086  -0.000029
              13         14         15         16         17         18
     1  C   -0.006836   0.185864   0.164356  -0.110572   0.141380  -0.135100
     2  C   -0.183225   0.734269   0.263417  -0.314346   0.001740   0.695214
     3  C    0.287604  -2.986587  -0.243086   0.599243  -0.387870  -0.075481
     4  C   -0.057877   0.702501  -0.495153   0.468495  -0.118468  -0.059898
     5  C   -0.009522   0.252523   0.177230   0.021185   0.183875  -0.012074
     6  C   -0.003751  -0.028001  -0.024091   0.020549  -0.012770  -0.018653
     7  O    0.000080   0.005779  -0.000030   0.000420  -0.003033  -0.000737
     8  C    0.128068  -0.064405   0.031175   0.031675  -0.030554  -0.058845
     9  C   -0.708447  -0.518842  -0.161976   0.282683  -0.008271  -0.164041
    10  C    0.151961   0.265873  -0.642811  -1.080100   0.166793  -0.054188
    11  C    0.000114   0.003303   0.004437  -0.002339   0.003865  -0.010221
    12  H   -0.758832   0.037298   0.253279  -0.266271  -0.009594   0.019697
    13  H    2.995495  -0.005027  -0.353494   0.180378   0.030856  -0.027348
    14  H   -0.005027   3.281911   0.194906  -0.234839   0.019268   0.014064
    15  H   -0.353494   0.194906   3.404733  -0.754360   0.006970   0.003696
    16  H    0.180378  -0.234839  -0.754360   2.763897   0.004406  -0.011111
    17  H    0.030856   0.019268   0.006970   0.004406   2.380697  -0.520716
    18  H   -0.027348   0.014064   0.003696  -0.011111  -0.520716   2.258805
    19  H   -0.077488   0.008698   0.014049  -0.009920  -0.620899  -0.548910
    20  H    0.018553  -0.079962   0.005280   0.015105   0.018939  -0.041055
    21  H   -0.002867  -0.008752   0.002676  -0.003716  -0.074646   0.026251
    22  H    0.030035   0.035795  -0.013177   0.004031   0.031222   0.012420
    23  H   -0.004886  -0.121556  -0.017355   0.010615   0.043039  -0.009811
    24  H    0.004853  -0.038176  -0.098281   0.004038   0.013764  -0.034928
    25  H   -0.000323   0.001646   0.004056  -0.000989   0.000139   0.000137
    26  H   -0.000036   0.000661  -0.006315   0.001466  -0.001977   0.000827
    27  H    0.000114  -0.000770   0.001472   0.000363   0.001652  -0.001284
              19         20         21         22         23         24
     1  C    0.141516  -0.074909  -0.013416   0.095017   0.018886   0.017551
     2  C   -0.284002   0.461822   0.125562  -0.275264  -0.355381   0.148817
     3  C    0.282428  -0.370200   0.017338   0.252258   0.643821  -1.035571
     4  C    0.018962   0.211892  -0.034793  -0.103771  -2.668707   0.399683
     5  C    0.026385   0.000714  -0.032210   0.012008   0.537246  -2.225948
     6  C    0.018667   0.007217  -0.009232   0.000131   0.059572   0.497398
     7  O    0.000470  -0.000305  -0.000853  -0.000002  -0.066444  -0.069269
     8  C    0.103411  -0.125746   0.375750  -0.010350   0.004063   0.022571
     9  C    0.011605  -0.109535  -0.129338   0.215197   0.165557  -0.087304
    10  C   -0.151293   0.174791  -0.005555  -0.079683  -0.087838   0.401134
    11  C    0.002488   0.000534   0.000084  -0.000571   0.014656  -0.264539
    12  H    0.043032  -0.041915  -0.002166  -0.031439   0.011215   0.000352
    13  H   -0.077488   0.018553  -0.002867   0.030035  -0.004886   0.004853
    14  H    0.008698  -0.079962  -0.008752   0.035795  -0.121556  -0.038176
    15  H    0.014049   0.005280   0.002676  -0.013177  -0.017355  -0.098281
    16  H   -0.009920   0.015105  -0.003716   0.004031   0.010615   0.004038
    17  H   -0.620899   0.018939  -0.074646   0.031222   0.043039   0.013764
    18  H   -0.548910  -0.041055   0.026251   0.012420  -0.009811  -0.034928
    19  H    2.335325   0.023359   0.008937  -0.036665   0.001596   0.007623
    20  H    0.023359   2.196956  -0.478345  -0.485600   0.031088   0.005702
    21  H    0.008937  -0.478345   1.849076  -0.381198  -0.047600  -0.005051
    22  H   -0.036665  -0.485600  -0.381198   1.941810  -0.007268   0.003068
    23  H    0.001596   0.031088  -0.047600  -0.007268   3.634474   0.243373
    24  H    0.007623   0.005702  -0.005051   0.003068   0.243373   4.404134
    25  H   -0.000231  -0.000016   0.000044  -0.000066  -0.010344  -0.091430
    26  H    0.000420   0.000035  -0.000089  -0.000006  -0.007844  -0.091074
    27  H    0.000161   0.000073  -0.000133   0.000023   0.011386   0.017811
              25         26         27
     1  C   -0.002386   0.000384   0.001392
     2  C    0.000377   0.003392  -0.002658
     3  C   -0.004479   0.003231   0.000874
     4  C    0.024925  -0.016704  -0.012596
     5  C   -0.158168  -0.064574   0.319625
     6  C    0.045694   0.007610  -0.030198
     7  O    0.024282   0.029018  -0.019216
     8  C   -0.000387  -0.000110   0.000409
     9  C    0.000141  -0.000894  -0.000270
    10  C   -0.012059  -0.017805   0.007881
    11  C    0.405812   0.368576  -0.134086
    12  H    0.000378  -0.000288  -0.000029
    13  H   -0.000323  -0.000036   0.000114
    14  H    0.001646   0.000661  -0.000770
    15  H    0.004056  -0.006315   0.001472
    16  H   -0.000989   0.001466   0.000363
    17  H    0.000139  -0.001977   0.001652
    18  H    0.000137   0.000827  -0.001284
    19  H   -0.000231   0.000420   0.000161
    20  H   -0.000016   0.000035   0.000073
    21  H    0.000044  -0.000089  -0.000133
    22  H   -0.000066  -0.000006   0.000023
    23  H   -0.010344  -0.007844   0.011386
    24  H   -0.091430  -0.091074   0.017811
    25  H    1.350145  -0.187506  -0.260730
    26  H   -0.187506   1.375524  -0.262047
    27  H   -0.260730  -0.262047   1.705683
 Mulliken charges:
               1
     1  C    1.381116
     2  C   -1.868365
     3  C    1.177391
     4  C    1.019674
     5  C    1.328460
     6  C   -0.141530
     7  O   -0.614480
     8  C    1.345332
     9  C    1.908037
    10  C    1.210571
    11  C    0.904607
    12  H   -0.665918
    13  H   -0.628153
    14  H   -0.657442
    15  H   -0.721601
    16  H   -0.619984
    17  H   -0.259810
    18  H   -0.246709
    19  H   -0.319721
    20  H   -0.364470
    21  H   -0.175756
    22  H   -0.207955
    23  H   -1.025554
    24  H   -1.150301
    25  H   -0.128664
    26  H   -0.133875
    27  H   -0.344900
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.554877
     2  C   -1.868365
     3  C    0.519948
     4  C   -0.005880
     5  C    0.178159
     6  C   -0.141530
     7  O   -0.614480
     8  C    0.597151
     9  C    0.613965
    10  C   -0.131014
    11  C    0.297169
 Electronic spatial extent (au):  <R**2>=           2458.9624
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.9489    Y=              2.5331    Z=              0.4622  Tot=              3.2293
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -71.8430   YY=            -72.8582   ZZ=            -68.9954
   XY=             -9.0222   XZ=             -2.9586   YZ=             -0.4328
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.6108   YY=             -1.6260   ZZ=              2.2368
   XY=             -9.0222   XZ=             -2.9586   YZ=             -0.4328
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -5.6801  YYY=              1.6562  ZZZ=             -1.6166  XYY=              7.0088
  XXY=             26.8226  XXZ=              7.7843  XZZ=             -1.5007  YZZ=              0.1543
  YYZ=              0.6739  XYZ=              1.3413
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2531.6497 YYYY=           -553.6629 ZZZZ=           -309.3595 XXXY=            -74.5876
 XXXZ=            -19.4892 YYYX=             -9.9369 YYYZ=             -1.8531 ZZZX=             -3.8333
 ZZZY=              4.0275 XXYY=           -561.5339 XXZZ=           -466.8024 YYZZ=           -140.9653
 XXYZ=            -16.0526 YYXZ=             -2.8487 ZZXY=              5.2126
 N-N= 6.110030257980D+02 E-N=-2.303694350963D+03  KE= 4.631317382112D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:37:15 2021, MaxMem=  5368709120 cpu:               2.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 7.53203215D-01 9.76112432D-01 1.78417530D-01
 Polarizability= 1.57753060D+02-3.27875141D+00 1.14652483D+02
                -5.16231534D+00 2.28516577D+00 9.73254217D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.9698    2.9707       -1.6411   -1.6421
 2     -2.9698   -2.9707       -1.1798   -1.1784      -26.6220  -26.6241
 3      1.6411    1.6421       35.8027   35.8012        1.1788    1.1784
 4      1.1798    1.1784        0.0000    0.0000        1.6445    1.6421
 5     -9.1807   -9.1771       -1.6445   -1.6421        2.9672    2.9707
 6     -1.1788   -1.1784       -2.9672   -2.9707       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -8.9121   -8.9121       -4.9262   -4.9262
 2      3.5352    3.5352       -0.0000    0.0000       -4.9262   -4.9262
 3      3.5352    3.5352       -8.9121   -8.9121        0.0000    0.0000
 4     -8.9121   -8.9121       -3.5352   -3.5352      -79.8724  -79.8724
 5      4.9262    4.9262      107.4036  107.4036        3.5352    3.5352
 6    -27.5313  -27.5313       -4.9262   -4.9262        8.9121    8.9121
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0598    0.0000      -11.8344  -11.8828        6.6530    6.5682
 2     11.8717   11.8828        4.6766    4.7136      106.5732  106.4965
 3     -6.6089   -6.5682     -143.1174 -143.2049       -4.7549   -4.7136
 4     -4.7450   -4.7136        0.0056    0.0000       -6.5592   -6.5682
 5     36.7857   36.7083        6.5221    6.5682      -11.8514  -11.8828
 6      4.6317    4.7136       12.0363   11.8828        0.0549    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0625    0.0000       16.6412   16.4503      -46.3960  -46.3703
 2    -16.5067  -16.4503       18.7862   18.7736       20.3349   20.3680
 3     46.4899   46.3703       29.0229   28.8397      -18.6920  -18.7736
 4    -18.8014  -18.7736        0.0429    0.0000       46.3874   46.3703
 5    -49.1616  -49.2077      -46.4400  -46.3703       16.4071   16.4503
 6     18.7645   18.7736      -16.5428  -16.4503        0.0222    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -36.1601  -36.1383        6.2461    6.1528       37.1474   37.1305
 2    -56.4609  -56.4644        7.6962    7.5566       37.1314   37.1305
 3    -56.4597  -56.4644        6.2123    6.1528       58.6601   58.6330
 4     -1.3511   -1.4038       21.1052   20.3261       37.9373   37.8420
 5     21.5403   21.5025       48.0975   47.9232      -20.1163  -20.3261
 6    -85.7949  -85.7652      -21.8376  -21.5025        1.3194    1.4038
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.4119   -2.6292   -0.0003   -0.0001    0.0004    2.7054
 Low frequencies ---   34.3208   71.7474   83.5721
 Diagonal vibrational polarizability:
       22.6689464       8.5513366      79.6013259
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     34.3092                71.7449                83.5719
 Red. masses --      3.4219                 4.0592                 2.9550
 Frc consts  --      0.0024                 0.0123                 0.0122
 IR Inten    --      3.6320                 1.0936                 0.7133
 RamAct Fr= 1--      1.3191                 0.9286                 0.1790
  Dep-P Fr= 1--      0.7489                 0.6704                 0.6434
  Dep-U Fr= 1--      0.8564                 0.8027                 0.7830
 Alpha2 Fr= 1--      0.0000                 0.0013                 0.0003
 Beta2  Fr= 1--      0.1883                 0.1242                 0.0234
 AlphaG Fr= 1--      0.0000                -0.0160                 0.0015
 Gamma2 Fr= 1--      0.9636                 0.0438                -0.2466
 Delta2 Fr= 1--      0.4910                 0.2496                -0.1185
 Raman1 Fr= 1--       5.276                  3.714                  0.716
 ROA1   Fr= 1--     108.222                 12.192                -27.467
 CID1   Fr= 1--      20.511                  3.283                -38.369
 Raman2 Fr= 1--       2.259                  1.491                  0.280
 ROA2   Fr= 1--      19.200                 -0.946                 -4.971
 CID2   Fr= 1--       8.498                 -0.635                -17.737
 Raman3 Fr= 1--       4.519                  2.981                  0.561
 ROA3   Fr= 1--     108.222                 12.192                -27.467
 CID3   Fr= 1--      23.950                  4.089                -49.004
 RC180  Fr= 1--       0.713                  0.605                  0.566
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.10   0.03     0.25   0.04   0.08    -0.04  -0.12  -0.04
     2   6    -0.03   0.01   0.03     0.08   0.01   0.01     0.01  -0.00   0.01
     3   6     0.02  -0.01  -0.05    -0.03  -0.08   0.10     0.01  -0.08  -0.05
     4   6     0.01   0.01  -0.08    -0.02  -0.11   0.15     0.01  -0.09  -0.05
     5   6     0.03  -0.01  -0.00    -0.03  -0.06   0.05     0.02  -0.04  -0.09
     6   6     0.02  -0.01  -0.01    -0.08   0.02  -0.06     0.00   0.03   0.01
     7   8    -0.02   0.04  -0.22    -0.17   0.07  -0.19    -0.09   0.03   0.05
     8   6    -0.03  -0.04   0.12     0.08   0.03  -0.03     0.17   0.12   0.02
     9   6    -0.00   0.00  -0.03     0.01   0.04  -0.11    -0.11   0.05   0.10
    10   6     0.02   0.00  -0.10    -0.07  -0.05   0.03    -0.09  -0.04  -0.07
    11   6     0.09  -0.08   0.27    -0.03   0.06  -0.01     0.09   0.11   0.07
    12   1     0.02  -0.05  -0.01    -0.08   0.05  -0.20    -0.01   0.12   0.22
    13   1    -0.02   0.04  -0.03     0.11   0.10  -0.16    -0.28   0.06   0.16
    14   1     0.06  -0.06  -0.03    -0.10  -0.08   0.08     0.03  -0.10  -0.04
    15   1     0.00   0.05  -0.13     0.00  -0.08   0.09    -0.19  -0.03  -0.15
    16   1     0.06  -0.03  -0.13    -0.20  -0.06   0.02    -0.04  -0.08  -0.10
    17   1    -0.11   0.11   0.06     0.29   0.00   0.18     0.06  -0.18  -0.13
    18   1    -0.09   0.14  -0.03     0.25   0.02   0.11    -0.16  -0.20  -0.06
    19   1    -0.12   0.12   0.08     0.32   0.11   0.01    -0.07  -0.05   0.01
    20   1     0.02  -0.11   0.12    -0.04   0.01  -0.08     0.21   0.21   0.06
    21   1    -0.04  -0.04   0.16     0.13  -0.01   0.08     0.29   0.06  -0.06
    22   1    -0.06  -0.03   0.17     0.17   0.12  -0.11     0.16   0.20   0.07
    23   1    -0.02   0.03  -0.16    -0.02  -0.12   0.19     0.01  -0.11   0.02
    24   1     0.05  -0.04   0.10    -0.01  -0.05   0.02     0.06  -0.03  -0.16
    25   1     0.05   0.06   0.46     0.09   0.17   0.10     0.09   0.10   0.05
    26   1     0.19  -0.30   0.34    -0.06  -0.10   0.07     0.20   0.14   0.03
    27   1     0.08  -0.08   0.24    -0.09   0.14  -0.15     0.06   0.17   0.17
                      4                      5                      6
                      A                      A                      A
 Frequencies --    115.1245               135.9243               160.5915
 Red. masses --      1.1129                 2.3787                 2.6932
 Frc consts  --      0.0087                 0.0259                 0.0409
 IR Inten    --      0.0082                 0.1649                 1.1201
 RamAct Fr= 1--      0.4231                 1.0838                 0.6513
  Dep-P Fr= 1--      0.7477                 0.6545                 0.5675
  Dep-U Fr= 1--      0.8556                 0.7912                 0.7241
 Alpha2 Fr= 1--      0.0000                 0.0019                 0.0022
 Beta2  Fr= 1--      0.0603                 0.1429                 0.0786
 AlphaG Fr= 1--      0.0003                 0.0142                -0.0000
 Gamma2 Fr= 1--      0.1174                -0.0265                 0.7649
 Delta2 Fr= 1--      0.0100                 0.1438                 0.0194
 Raman1 Fr= 1--       1.692                  4.335                  2.605
 ROA1   Fr= 1--      11.592                  2.057                 74.051
 CID1   Fr= 1--       6.850                  0.474                 28.422
 Raman2 Fr= 1--       0.724                  1.715                  0.943
 ROA2   Fr= 1--       2.739                 -1.787                 18.202
 CID2   Fr= 1--       3.783                 -1.042                 19.297
 Raman3 Fr= 1--       1.448                  3.430                  1.887
 ROA3   Fr= 1--      11.592                  2.057                 74.051
 CID3   Fr= 1--       8.006                  0.600                 39.253
 RC180  Fr= 1--       0.711                  0.582                  0.448
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00   0.01    -0.04   0.02  -0.02    -0.01   0.09   0.00
     2   6     0.01  -0.00   0.01    -0.01   0.01  -0.01     0.00   0.02  -0.02
     3   6    -0.00   0.00   0.02     0.00   0.00  -0.04     0.01   0.04  -0.00
     4   6    -0.00   0.00   0.02     0.00  -0.01  -0.07     0.04  -0.06  -0.13
     5   6    -0.02   0.02  -0.05     0.08  -0.11   0.27     0.03  -0.09  -0.12
     6   6    -0.01   0.00  -0.01     0.02  -0.03   0.07     0.02  -0.04  -0.03
     7   8    -0.01   0.01  -0.04    -0.04   0.01  -0.05    -0.07  -0.04   0.06
     8   6    -0.01  -0.01  -0.00     0.02   0.01   0.02    -0.06  -0.05   0.01
     9   6     0.01  -0.00  -0.00    -0.02   0.01  -0.02     0.01   0.02  -0.04
    10   6     0.00  -0.00   0.02    -0.02  -0.00  -0.02    -0.09   0.00   0.21
    11   6    -0.00  -0.02   0.04     0.02   0.06  -0.08     0.12   0.08   0.01
    12   1    -0.00  -0.00  -0.02    -0.02   0.02  -0.02    -0.15   0.06  -0.20
    13   1     0.03  -0.01  -0.01    -0.02   0.02  -0.02     0.19  -0.02  -0.10
    14   1    -0.01   0.01   0.02     0.03   0.02  -0.03     0.10   0.21   0.00
    15   1     0.01  -0.01   0.03    -0.02  -0.02  -0.01    -0.02  -0.24   0.35
    16   1    -0.01   0.00   0.02    -0.03   0.01  -0.01    -0.25   0.16   0.37
    17   1     0.02   0.00   0.02    -0.05   0.03  -0.03    -0.05   0.12   0.04
    18   1     0.03   0.00   0.02    -0.05   0.03  -0.04     0.03   0.14  -0.02
    19   1     0.03   0.00   0.00    -0.06   0.03  -0.00    -0.01   0.08  -0.00
    20   1    -0.02  -0.01  -0.01     0.03  -0.00   0.02    -0.05  -0.10   0.00
    21   1    -0.01  -0.00   0.00     0.03  -0.00   0.03    -0.12  -0.02   0.05
    22   1    -0.00  -0.01  -0.01     0.01   0.04   0.04    -0.07  -0.08   0.02
    23   1     0.01  -0.02   0.08    -0.06   0.08  -0.40     0.10  -0.06  -0.18
    24   1    -0.03   0.03  -0.10     0.16  -0.20   0.57     0.06  -0.10  -0.10
    25   1    -0.37  -0.33  -0.29    -0.02  -0.14  -0.32     0.19   0.10   0.04
    26   1     0.24   0.45  -0.22     0.03   0.34  -0.20     0.21   0.03   0.01
    27   1     0.12  -0.16   0.55     0.03   0.05   0.08     0.06   0.18   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    214.6012               242.2567               253.6054
 Red. masses --      1.4369                 1.6578                 2.8640
 Frc consts  --      0.0390                 0.0573                 0.1085
 IR Inten    --      0.6236                 2.1284                 0.5178
 RamAct Fr= 1--      0.7658                 0.9259                 3.9908
  Dep-P Fr= 1--      0.6746                 0.3593                 0.2080
  Dep-U Fr= 1--      0.8057                 0.5286                 0.3444
 Alpha2 Fr= 1--      0.0010                 0.0079                 0.0531
 Beta2  Fr= 1--      0.1028                 0.0816                 0.2290
 AlphaG Fr= 1--      0.0084                -0.0114                 0.0093
 Gamma2 Fr= 1--     -0.0961                 0.0602                -0.1134
 Delta2 Fr= 1--     -0.0301                 0.1759                 0.0428
 Raman1 Fr= 1--       3.063                  3.704                 15.963
 ROA1   Fr= 1--     -10.190                 11.406                 -9.512
 CID1   Fr= 1--      -3.327                  3.079                 -0.596
 Raman2 Fr= 1--       1.234                  0.979                  2.749
 ROA2   Fr= 1--      -2.065                  0.037                 -3.063
 CID2   Fr= 1--      -1.674                  0.038                 -1.114
 Raman3 Fr= 1--       2.468                  1.958                  5.497
 ROA3   Fr= 1--     -10.190                 11.406                 -9.512
 CID3   Fr= 1--      -4.129                  5.825                 -1.730
 RC180  Fr= 1--       0.611                  0.057                 -0.311
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01  -0.03     0.01  -0.00  -0.01     0.03  -0.02   0.06
     2   6     0.00  -0.03  -0.02    -0.00  -0.02  -0.02    -0.06   0.00   0.03
     3   6    -0.01  -0.00  -0.02    -0.02  -0.04  -0.02    -0.04  -0.06   0.01
     4   6    -0.03   0.04  -0.04    -0.03   0.01  -0.01     0.01  -0.06   0.03
     5   6    -0.02   0.05  -0.00     0.02   0.07   0.02     0.08   0.04   0.02
     6   6    -0.01   0.03   0.00     0.03   0.06   0.01     0.11   0.04  -0.00
     7   8     0.03   0.02   0.01     0.11   0.05  -0.01     0.18   0.04  -0.05
     8   6     0.11   0.00   0.07     0.04  -0.03   0.04    -0.14  -0.00  -0.06
     9   6     0.01  -0.03  -0.05    -0.04  -0.00  -0.06    -0.13   0.04   0.02
    10   6    -0.02  -0.03   0.05    -0.09  -0.06   0.05    -0.15  -0.03  -0.03
    11   6    -0.05  -0.02   0.01    -0.03  -0.02   0.00     0.11   0.02  -0.02
    12   1    -0.06  -0.04  -0.11    -0.12   0.01  -0.14    -0.11   0.08   0.06
    13   1     0.10  -0.05  -0.08     0.04   0.02  -0.10    -0.19   0.07   0.04
    14   1    -0.01   0.04  -0.02    -0.02  -0.01  -0.02    -0.01  -0.09   0.03
    15   1     0.02  -0.11   0.11    -0.07  -0.18   0.11    -0.19  -0.05  -0.06
    16   1    -0.07   0.03   0.11    -0.20   0.01   0.12    -0.17  -0.06  -0.05
    17   1    -0.11   0.04  -0.06     0.34  -0.21   0.06    -0.15   0.09   0.07
    18   1     0.04   0.03  -0.01    -0.30  -0.16  -0.17     0.23   0.06   0.21
    19   1    -0.05  -0.12  -0.04     0.01   0.38   0.10     0.08  -0.23  -0.07
    20   1    -0.21  -0.19  -0.12     0.31   0.06   0.17    -0.45  -0.10  -0.21
    21   1     0.34  -0.21   0.49    -0.03   0.05  -0.22    -0.13  -0.05   0.21
    22   1     0.33   0.45  -0.07    -0.14  -0.20   0.21     0.06   0.12  -0.29
    23   1    -0.07   0.05  -0.08    -0.11   0.02  -0.02    -0.05  -0.06   0.09
    24   1    -0.00   0.04   0.04     0.06   0.06   0.03     0.12   0.04  -0.03
    25   1    -0.09  -0.02   0.02    -0.08  -0.02   0.01     0.12   0.02  -0.03
    26   1    -0.08  -0.03   0.02    -0.08  -0.02   0.01     0.10   0.03  -0.02
    27   1    -0.02  -0.07  -0.01     0.01  -0.09  -0.03     0.10   0.03  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    269.0459               282.2763               353.5180
 Red. masses --      1.5683                 1.5923                 2.2972
 Frc consts  --      0.0669                 0.0748                 0.1692
 IR Inten    --      0.3930                 0.2981                 0.3762
 RamAct Fr= 1--      1.8493                 2.0223                 1.4432
  Dep-P Fr= 1--      0.0987                 0.1931                 0.4126
  Dep-U Fr= 1--      0.1796                 0.3237                 0.5842
 Alpha2 Fr= 1--      0.0325                 0.0280                 0.0102
 Beta2  Fr= 1--      0.0554                 0.1091                 0.1405
 AlphaG Fr= 1--      0.0721                 0.0885                -0.0296
 Gamma2 Fr= 1--      1.0016                -0.6517                -0.4084
 Delta2 Fr= 1--      0.1791                -0.3564                -0.1302
 Raman1 Fr= 1--       7.397                  8.089                  5.773
 ROA1   Fr= 1--     101.882                -73.973                -43.374
 CID1   Fr= 1--      13.773                 -9.145                 -7.513
 Raman2 Fr= 1--       0.664                  1.309                  1.686
 ROA2   Fr= 1--      22.604                -12.791                 -8.760
 CID2   Fr= 1--      34.026                 -9.768                 -5.195
 Raman3 Fr= 1--       1.329                  2.619                  3.372
 ROA3   Fr= 1--     101.882                -73.973                -43.374
 CID3   Fr= 1--      76.682                -28.246                -12.862
 RC180  Fr= 1--      -0.641                 -0.353                  0.168
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.02   0.08    -0.11   0.02  -0.06    -0.04   0.20   0.02
     2   6    -0.02  -0.01   0.03    -0.01   0.01  -0.03     0.02  -0.06  -0.03
     3   6     0.00   0.02  -0.01    -0.00   0.02   0.02     0.02  -0.07  -0.02
     4   6    -0.02   0.05  -0.13     0.04  -0.04   0.14    -0.00  -0.05  -0.01
     5   6    -0.01  -0.00  -0.03     0.01  -0.03   0.03     0.02  -0.00  -0.01
     6   6    -0.01  -0.01  -0.01     0.02  -0.03   0.01    -0.00   0.04   0.01
     7   8    -0.02  -0.01   0.03    -0.00  -0.01  -0.03     0.00   0.04   0.01
     8   6    -0.06  -0.00  -0.02    -0.03  -0.00  -0.03     0.05   0.02  -0.14
     9   6    -0.01  -0.01   0.06     0.02  -0.00  -0.01    -0.00  -0.07   0.11
    10   6     0.03   0.01  -0.03     0.02   0.03   0.02     0.01  -0.09   0.04
    11   6    -0.00  -0.00   0.00     0.05   0.02  -0.01    -0.06  -0.02   0.01
    12   1     0.05  -0.02   0.12     0.01  -0.01  -0.02     0.09   0.05   0.23
    13   1    -0.09  -0.03   0.09     0.04  -0.03  -0.01    -0.14  -0.17   0.20
    14   1     0.08  -0.01   0.02    -0.08   0.04  -0.00     0.00  -0.04  -0.03
    15   1     0.00   0.07  -0.07     0.04   0.05   0.02    -0.04  -0.10   0.01
    16   1     0.09  -0.02  -0.06     0.03   0.02   0.01     0.06  -0.07   0.06
    17   1     0.46  -0.25   0.21     0.20  -0.18  -0.07    -0.16   0.26   0.25
    18   1    -0.18  -0.19  -0.03    -0.46  -0.14  -0.29     0.04   0.40  -0.19
    19   1     0.18   0.40   0.10    -0.19   0.38   0.13    -0.09   0.30   0.10
    20   1    -0.28  -0.08  -0.13    -0.23  -0.10  -0.14    -0.05   0.17  -0.13
    21   1    -0.01  -0.06   0.19     0.03  -0.07   0.20     0.11  -0.00  -0.22
    22   1     0.09   0.13  -0.18     0.11   0.16  -0.15     0.12   0.02  -0.24
    23   1    -0.04   0.08  -0.27     0.11  -0.09   0.30    -0.04  -0.04  -0.01
    24   1     0.00  -0.04   0.10    -0.03   0.01  -0.12     0.07  -0.00  -0.01
    25   1    -0.01   0.01   0.01     0.11   0.01  -0.03    -0.12  -0.02   0.02
    26   1     0.01  -0.01   0.00     0.07   0.03  -0.02    -0.12  -0.03   0.02
    27   1    -0.01   0.00   0.02     0.02   0.07  -0.01    -0.01  -0.11  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    371.8471               402.6948               480.4199
 Red. masses --      2.2530                 2.4838                 2.4451
 Frc consts  --      0.1835                 0.2373                 0.3325
 IR Inten    --      0.2754                 1.2801                 2.0083
 RamAct Fr= 1--      0.3929                 0.5934                 1.1807
  Dep-P Fr= 1--      0.6517                 0.2542                 0.3118
  Dep-U Fr= 1--      0.7891                 0.4054                 0.4754
 Alpha2 Fr= 1--      0.0007                 0.0069                 0.0117
 Beta2  Fr= 1--      0.0517                 0.0401                 0.0935
 AlphaG Fr= 1--     -0.0058                 0.0031                 0.0532
 Gamma2 Fr= 1--      0.1675                 0.2965                 0.3946
 Delta2 Fr= 1--      0.0173                 0.1977                 0.0164
 Raman1 Fr= 1--       1.572                  2.374                  4.723
 ROA1   Fr= 1--      16.629                 34.794                 38.403
 CID1   Fr= 1--      10.582                 14.659                  8.132
 Raman2 Fr= 1--       0.620                  0.481                  1.123
 ROA2   Fr= 1--       3.880                  5.536                  9.338
 CID2   Fr= 1--       6.258                 11.507                  8.318
 Raman3 Fr= 1--       1.240                  0.962                  2.245
 ROA3   Fr= 1--      16.629                 34.794                 38.403
 CID3   Fr= 1--      13.409                 36.160                 17.105
 RC180  Fr= 1--       0.578                 -0.189                 -0.049
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.02   0.12     0.07   0.06  -0.02    -0.03   0.02  -0.04
     2   6    -0.07  -0.03   0.11    -0.07  -0.06  -0.10     0.17   0.02   0.05
     3   6    -0.04  -0.02   0.07    -0.09   0.04  -0.04     0.04  -0.09   0.09
     4   6    -0.04   0.02  -0.03    -0.08   0.10   0.05    -0.07   0.09  -0.00
     5   6    -0.03   0.01  -0.01    -0.10   0.05   0.04    -0.08   0.07   0.02
     6   6     0.01  -0.03  -0.03    -0.01  -0.09  -0.01    -0.06  -0.03  -0.08
     7   8     0.04  -0.04  -0.00     0.05  -0.09  -0.04     0.03  -0.07   0.02
     8   6     0.02   0.16  -0.07     0.07  -0.04   0.03     0.03  -0.07  -0.05
     9   6     0.04  -0.08  -0.11    -0.06  -0.09   0.05     0.05   0.12   0.01
    10   6     0.05  -0.02  -0.01    -0.00   0.01   0.01    -0.03  -0.08  -0.01
    11   6     0.07   0.03  -0.01     0.13   0.06  -0.01     0.04   0.03   0.00
    12   1    -0.09  -0.31  -0.28     0.02  -0.00   0.14     0.06   0.22   0.05
    13   1     0.27   0.03  -0.24    -0.14  -0.23   0.13    -0.05   0.21   0.02
    14   1     0.03  -0.08   0.10    -0.17   0.07  -0.07     0.00  -0.14   0.08
    15   1     0.14   0.02   0.05    -0.03   0.06  -0.03    -0.04  -0.08  -0.02
    16   1     0.00  -0.04  -0.03     0.11   0.01   0.02    -0.15  -0.13  -0.07
    17   1    -0.09  -0.02   0.11     0.03   0.07   0.20    -0.08   0.06  -0.23
    18   1    -0.10  -0.01   0.09     0.18   0.14  -0.00    -0.13   0.03  -0.18
    19   1    -0.11  -0.02   0.16     0.18   0.13  -0.14    -0.23  -0.05   0.19
    20   1    -0.04   0.46   0.01     0.23  -0.04   0.09    -0.09  -0.13  -0.11
    21   1     0.16   0.10  -0.29     0.18  -0.09  -0.03    -0.15   0.03   0.03
    22   1     0.07   0.16  -0.14    -0.03   0.07   0.21     0.09  -0.23  -0.19
    23   1    -0.07   0.04  -0.10    -0.09   0.08   0.11    -0.23   0.17  -0.21
    24   1    -0.03  -0.01   0.07    -0.21   0.07   0.01    -0.14   0.02   0.25
    25   1     0.12   0.03  -0.01     0.32   0.06  -0.06     0.08   0.08   0.05
    26   1     0.15   0.02  -0.02     0.29   0.07  -0.06     0.25  -0.03  -0.02
    27   1     0.02   0.11   0.04    -0.02   0.31   0.07    -0.04   0.17   0.14
                     16                     17                     18
                      A                      A                      A
 Frequencies --    540.9824               580.2655               595.7584
 Red. masses --      2.6804                 3.3528                 2.5709
 Frc consts  --      0.4622                 0.6651                 0.5376
 IR Inten    --      5.1408                20.7460                 0.4153
 RamAct Fr= 1--      0.8466                 0.3079                11.9869
  Dep-P Fr= 1--      0.2776                 0.7495                 0.0894
  Dep-U Fr= 1--      0.4346                 0.8568                 0.1642
 Alpha2 Fr= 1--      0.0093                 0.0000                 0.2154
 Beta2  Fr= 1--      0.0613                 0.0440                 0.3280
 AlphaG Fr= 1--      0.0236                -0.0008                 0.0519
 Gamma2 Fr= 1--      0.3256                 0.8793                -0.4170
 Delta2 Fr= 1--      0.2710                -0.1626                -0.1887
 Raman1 Fr= 1--       3.386                  1.232                 47.948
 ROA1   Fr= 1--      39.926                 79.212                -46.069
 CID1   Fr= 1--      11.791                 64.311                 -0.961
 Raman2 Fr= 1--       0.736                  0.528                  3.936
 ROA2   Fr= 1--       5.646                 22.404                 -8.498
 CID2   Fr= 1--       7.672                 42.457                 -2.159
 Raman3 Fr= 1--       1.472                  1.055                  7.872
 ROA3   Fr= 1--      39.926                 79.212                -46.069
 CID3   Fr= 1--      27.130                 75.056                 -5.852
 RC180  Fr= 1--      -0.131                  0.714                 -0.672
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.07     0.02   0.01  -0.05    -0.03  -0.02   0.06
     2   6     0.01  -0.01   0.05     0.02   0.09   0.01     0.06  -0.08   0.03
     3   6     0.10  -0.01  -0.15    -0.01  -0.06  -0.06    -0.02   0.06   0.10
     4   6     0.06   0.17   0.02    -0.09  -0.09  -0.06    -0.01   0.00  -0.07
     5   6     0.01   0.10   0.01    -0.08  -0.06  -0.05    -0.02  -0.02  -0.08
     6   6     0.05  -0.08   0.13    -0.07  -0.05   0.18     0.02  -0.04   0.18
     7   8    -0.13  -0.02  -0.04     0.15  -0.02  -0.10     0.03   0.02  -0.06
     8   6    -0.01   0.01  -0.02    -0.07   0.10   0.05     0.11  -0.13  -0.07
     9   6    -0.02   0.02  -0.00     0.12   0.02   0.03    -0.07   0.03  -0.02
    10   6    -0.03  -0.09  -0.03     0.09  -0.08   0.01    -0.05   0.12   0.01
    11   6     0.04  -0.05  -0.02    -0.11   0.12   0.07    -0.03   0.02   0.03
    12   1    -0.05  -0.02  -0.04     0.20   0.01   0.11    -0.14   0.06  -0.10
    13   1     0.00   0.11  -0.04     0.00   0.02   0.08     0.03   0.05  -0.07
    14   1     0.15  -0.14  -0.12     0.02  -0.10  -0.05     0.05   0.16   0.11
    15   1    -0.13  -0.47   0.05     0.12  -0.25   0.11    -0.05   0.41  -0.11
    16   1    -0.17   0.14   0.21    -0.02   0.05   0.15     0.09  -0.08  -0.20
    17   1    -0.01  -0.02   0.08     0.07  -0.01  -0.17    -0.10   0.02   0.09
    18   1    -0.00  -0.02   0.08    -0.02  -0.07   0.03    -0.03   0.07  -0.08
    19   1    -0.00  -0.02   0.05     0.03  -0.04  -0.07    -0.12  -0.01   0.19
    20   1    -0.10   0.06  -0.03    -0.08   0.04   0.03     0.08  -0.09  -0.07
    21   1    -0.04   0.03  -0.03    -0.15   0.14   0.10     0.11  -0.13  -0.10
    22   1     0.04  -0.04  -0.11    -0.07   0.06   0.04     0.13  -0.17  -0.11
    23   1     0.04   0.10   0.30    -0.06  -0.12   0.05     0.09  -0.02  -0.02
    24   1    -0.22   0.17  -0.20    -0.02  -0.02  -0.20    -0.00  -0.00  -0.14
    25   1     0.22  -0.15  -0.18     0.24  -0.00  -0.16     0.23  -0.12  -0.20
    26   1    -0.18   0.09  -0.03    -0.24   0.30   0.02    -0.32   0.23   0.01
    27   1     0.01  -0.02  -0.18    -0.26   0.36  -0.05    -0.08   0.10  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --    637.7184               742.6419               784.4966
 Red. masses --      3.1989                 2.4958                 1.6854
 Frc consts  --      0.7665                 0.8110                 0.6111
 IR Inten    --      4.8846                 0.4617                 0.9506
 RamAct Fr= 1--     18.8042                 6.9669                 2.1263
  Dep-P Fr= 1--      0.1344                 0.0662                 0.2467
  Dep-U Fr= 1--      0.2370                 0.1242                 0.3957
 Alpha2 Fr= 1--      0.3024                 0.1324                 0.0254
 Beta2  Fr= 1--      0.7426                 0.1442                 0.1402
 AlphaG Fr= 1--     -0.2188                 0.0469                 0.0680
 Gamma2 Fr= 1--     -3.3038                 0.9275                 0.6834
 Delta2 Fr= 1--      1.2533                -0.2910                -0.4642
 Raman1 Fr= 1--      75.217                 27.868                  8.505
 ROA1   Fr= 1--    -277.060                 79.725                 50.756
 CID1   Fr= 1--      -3.683                  2.861                  5.968
 Raman2 Fr= 1--       8.911                  1.731                  1.683
 ROA2   Fr= 1--     -89.318                 24.587                 20.116
 CID2   Fr= 1--     -10.023                 14.208                 11.954
 Raman3 Fr= 1--      17.823                  3.461                  3.366
 ROA3   Fr= 1--    -277.060                 79.725                 50.756
 CID3   Fr= 1--     -15.545                 23.034                 15.081
 RC180  Fr= 1--      -0.526                 -0.752                 -0.209
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04  -0.11    -0.05  -0.04   0.14     0.02   0.01  -0.00
     2   6     0.00   0.05  -0.02     0.00   0.00  -0.00     0.08   0.04   0.05
     3   6    -0.10  -0.08   0.14    -0.12   0.05  -0.10    -0.03  -0.02  -0.13
     4   6    -0.12  -0.04  -0.04    -0.12  -0.09  -0.01    -0.09  -0.06  -0.02
     5   6    -0.01   0.10  -0.07    -0.04  -0.03   0.04    -0.02   0.00   0.05
     6   6     0.13   0.00   0.10     0.02   0.04  -0.01    -0.01   0.02  -0.01
     7   8    -0.12   0.06   0.01     0.00   0.05   0.01    -0.00   0.02   0.01
     8   6    -0.05   0.07   0.04     0.07  -0.08  -0.05     0.03   0.01   0.01
     9   6     0.06  -0.02   0.01     0.08   0.11  -0.03    -0.05  -0.03   0.07
    10   6     0.02  -0.04   0.03     0.08   0.06  -0.03     0.03   0.04   0.05
    11   6     0.16  -0.14  -0.05     0.07  -0.05  -0.04     0.03  -0.03  -0.03
    12   1     0.13   0.04   0.09     0.32   0.13   0.22    -0.36  -0.07  -0.26
    13   1    -0.03  -0.09   0.07    -0.25   0.17   0.09     0.40  -0.01  -0.11
    14   1    -0.12  -0.02   0.13    -0.16   0.03  -0.11    -0.02  -0.03  -0.12
    15   1     0.14   0.19   0.02     0.26  -0.21   0.22    -0.21   0.17  -0.17
    16   1     0.02  -0.20  -0.13    -0.16   0.30   0.22     0.45   0.03   0.04
    17   1     0.05   0.03  -0.21    -0.05  -0.04   0.14     0.02   0.02  -0.09
    18   1    -0.01  -0.01  -0.09    -0.06  -0.06   0.15    -0.01  -0.00  -0.02
    19   1     0.00  -0.00  -0.08    -0.06  -0.06   0.15    -0.03  -0.03   0.06
    20   1     0.01   0.00   0.04     0.07  -0.08  -0.05    -0.09  -0.03  -0.04
    21   1    -0.07   0.07   0.08     0.09  -0.09  -0.06    -0.18   0.13   0.06
    22   1    -0.09   0.09   0.11     0.07  -0.08  -0.06     0.07  -0.19  -0.13
    23   1    -0.28   0.01  -0.13    -0.11  -0.12   0.09    -0.17  -0.09   0.14
    24   1     0.06   0.06   0.05     0.02   0.01  -0.12    -0.04   0.06  -0.16
    25   1     0.25  -0.25  -0.22    -0.01  -0.02   0.01     0.00   0.01   0.02
    26   1    -0.17   0.02  -0.04     0.10  -0.09  -0.03     0.11  -0.07  -0.02
    27   1     0.23  -0.26  -0.29     0.12  -0.13  -0.02     0.04  -0.04   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    863.6196               875.4091               896.4219
 Red. masses --      1.9722                 1.7921                 2.5208
 Frc consts  --      0.8666                 0.8092                 1.1935
 IR Inten    --      4.0762                 4.1598                 6.6631
 RamAct Fr= 1--     35.9293                19.6200                11.1499
  Dep-P Fr= 1--      0.5492                 0.6340                 0.5864
  Dep-U Fr= 1--      0.7090                 0.7760                 0.7393
 Alpha2 Fr= 1--      0.1380                 0.0413                 0.0341
 Beta2  Fr= 1--      4.2458                 2.5377                 1.3739
 AlphaG Fr= 1--      0.4645                -0.3528                 0.2028
 Gamma2 Fr= 1--      1.6373                 1.9253                 5.4233
 Delta2 Fr= 1--     -2.1446                -1.5039                 1.1405
 Raman1 Fr= 1--     143.717                 78.480                 44.600
 ROA1   Fr= 1--      88.549                136.702                557.134
 CID1   Fr= 1--       0.616                  1.742                 12.492
 Raman2 Fr= 1--      50.950                 30.452                 16.486
 ROA2   Fr= 1--      56.451                 58.238                121.035
 CID2   Fr= 1--       1.108                  1.912                  7.342
 Raman3 Fr= 1--     101.900                 60.904                 32.973
 ROA3   Fr= 1--      88.549                136.702                557.134
 CID3   Fr= 1--       0.869                  2.245                 16.897
 RC180  Fr= 1--       0.418                  0.552                  0.479
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.02   0.03     0.02   0.01   0.00     0.02   0.01  -0.00
     2   6    -0.10  -0.01  -0.07     0.06   0.03   0.03     0.02   0.01   0.01
     3   6     0.06  -0.08  -0.04    -0.03   0.04  -0.04     0.04  -0.08   0.00
     4   6     0.00  -0.05   0.08     0.04  -0.00   0.12    -0.02  -0.09  -0.01
     5   6     0.01   0.07  -0.08    -0.07  -0.03  -0.13     0.15   0.18  -0.00
     6   6    -0.01  -0.01  -0.00     0.01   0.02   0.00    -0.02  -0.06  -0.01
     7   8    -0.01  -0.02   0.00     0.02   0.03   0.01    -0.04  -0.08  -0.01
     8   6    -0.01  -0.04  -0.04     0.03   0.02   0.01     0.02   0.01   0.01
     9   6     0.04   0.14   0.06    -0.07  -0.09  -0.00    -0.08  -0.06  -0.06
    10   6     0.06   0.01   0.04     0.01   0.03  -0.05     0.02   0.17   0.00
    11   6    -0.01  -0.01   0.02     0.03  -0.00   0.03    -0.07  -0.02   0.02
    12   1    -0.18   0.14  -0.18    -0.03  -0.18   0.03     0.11  -0.10   0.14
    13   1     0.31   0.19  -0.06    -0.08  -0.06  -0.01    -0.26  -0.16   0.04
    14   1    -0.10  -0.06  -0.09    -0.20  -0.13  -0.07     0.15  -0.06   0.03
    15   1    -0.13   0.04  -0.10     0.00  -0.21   0.04     0.22   0.04   0.20
    16   1     0.20  -0.01   0.02    -0.01   0.24   0.17    -0.05   0.32   0.16
    17   1     0.01  -0.09   0.27    -0.00   0.03  -0.08     0.00   0.03  -0.09
    18   1     0.05  -0.02   0.17    -0.01   0.00  -0.03    -0.03  -0.01  -0.02
    19   1     0.14   0.10  -0.20    -0.05  -0.03   0.08    -0.04  -0.04   0.06
    20   1     0.09  -0.03   0.00    -0.05  -0.05  -0.04    -0.05  -0.00  -0.02
    21   1     0.15  -0.14  -0.06    -0.15   0.12   0.06    -0.08   0.06   0.01
    22   1    -0.05   0.14   0.08     0.06  -0.16  -0.09     0.04  -0.09  -0.06
    23   1    -0.20   0.04  -0.19     0.08   0.10  -0.31    -0.34  -0.06   0.06
    24   1     0.15  -0.07   0.43     0.05  -0.23   0.59     0.34   0.15   0.09
    25   1     0.12  -0.06  -0.07     0.07  -0.08  -0.09     0.14  -0.00  -0.01
    26   1    -0.06   0.08  -0.00    -0.17   0.10   0.03     0.11   0.03  -0.04
    27   1    -0.07   0.08  -0.03     0.06  -0.07  -0.12    -0.23   0.26   0.11
                     25                     26                     27
                      A                      A                      A
 Frequencies --    917.3950               948.3523               960.4213
 Red. masses --      2.1238                 2.2606                 1.6649
 Frc consts  --      1.0531                 1.1979                 0.9048
 IR Inten    --      0.2418                12.4031                12.7633
 RamAct Fr= 1--      8.8735                 4.1645                10.2875
  Dep-P Fr= 1--      0.3254                 0.4650                 0.2780
  Dep-U Fr= 1--      0.4910                 0.6349                 0.4350
 Alpha2 Fr= 1--      0.0842                 0.0240                 0.1126
 Beta2  Fr= 1--      0.7261                 0.4406                 0.7459
 AlphaG Fr= 1--      0.0668                 0.0676                 0.1178
 Gamma2 Fr= 1--      1.1124                 5.1073                 0.5446
 Delta2 Fr= 1--     -0.2536                 1.8581                 0.3985
 Raman1 Fr= 1--      35.494                 16.658                 41.150
 ROA1   Fr= 1--      98.674                549.760                 65.037
 CID1   Fr= 1--       2.780                 33.002                  1.580
 Raman2 Fr= 1--       8.714                  5.288                  8.951
 ROA2   Fr= 1--      28.726                107.710                  9.883
 CID2   Fr= 1--       3.297                 20.370                  1.104
 Raman3 Fr= 1--      17.427                 10.575                 17.901
 ROA3   Fr= 1--      98.674                549.760                 65.037
 CID3   Fr= 1--       5.662                 51.985                  3.633
 RC180  Fr= 1--      -0.018                  0.270                 -0.130
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02   0.15     0.02  -0.05   0.01    -0.03   0.10  -0.04
     2   6     0.07   0.07  -0.08     0.03  -0.05  -0.02    -0.04   0.04   0.06
     3   6    -0.06   0.05  -0.07    -0.08   0.01  -0.01    -0.07   0.02  -0.01
     4   6     0.03  -0.01   0.02     0.02   0.02  -0.00     0.00   0.00   0.01
     5   6     0.06   0.06  -0.02     0.05   0.02  -0.00     0.04   0.03  -0.00
     6   6     0.02  -0.03  -0.01     0.06  -0.03  -0.02     0.07  -0.04  -0.03
     7   8    -0.02  -0.04  -0.00    -0.02  -0.05  -0.01    -0.02  -0.05  -0.01
     8   6     0.01   0.05  -0.01    -0.02   0.06   0.01     0.05  -0.10   0.04
     9   6     0.10  -0.06  -0.03    -0.15   0.07  -0.07    -0.00   0.00   0.01
    10   6    -0.09  -0.08   0.03     0.16  -0.12   0.07     0.01  -0.05   0.01
    11   6    -0.03   0.02   0.02    -0.02   0.07   0.02    -0.02   0.07   0.02
    12   1     0.11   0.25   0.03    -0.14   0.20  -0.03     0.00  -0.06   0.01
    13   1     0.04  -0.36   0.10    -0.33   0.33  -0.10    -0.03   0.10  -0.01
    14   1    -0.22   0.32  -0.16    -0.16   0.07  -0.04    -0.11   0.05  -0.03
    15   1    -0.11   0.23  -0.11     0.28   0.07   0.09     0.07   0.04   0.02
    16   1     0.01  -0.31  -0.22     0.39  -0.11   0.10     0.03  -0.08  -0.02
    17   1    -0.00  -0.03  -0.04    -0.12   0.03   0.14     0.21  -0.04  -0.28
    18   1    -0.12  -0.13   0.22     0.05   0.12  -0.23    -0.08  -0.21   0.37
    19   1    -0.09  -0.13   0.20    -0.09   0.03   0.17     0.15  -0.06  -0.31
    20   1     0.07  -0.16  -0.06     0.03  -0.10  -0.02    -0.19   0.27   0.06
    21   1    -0.14   0.12   0.12    -0.12   0.11   0.13     0.11  -0.10  -0.23
    22   1    -0.06  -0.02   0.05    -0.09   0.02   0.08     0.24  -0.18  -0.26
    23   1    -0.02   0.02  -0.06     0.05   0.03  -0.04    -0.02   0.01  -0.02
    24   1     0.12   0.03   0.09     0.02   0.03  -0.05     0.01   0.03  -0.01
    25   1    -0.01   0.01   0.00    -0.18   0.06   0.04    -0.20   0.06   0.04
    26   1    -0.05   0.04   0.01    -0.17   0.05   0.07    -0.19   0.05   0.08
    27   1    -0.06   0.06   0.02     0.06  -0.08  -0.03     0.08  -0.10  -0.05
                     28                     29                     30
                      A                      A                      A
 Frequencies --    968.2197               980.4561              1003.1371
 Red. masses --      1.7288                 1.7372                 1.6633
 Frc consts  --      0.9549                 0.9839                 0.9862
 IR Inten    --     26.2578                 1.3638                 2.2693
 RamAct Fr= 1--     13.6353                12.1625                10.3813
  Dep-P Fr= 1--      0.1705                 0.2498                 0.3224
  Dep-U Fr= 1--      0.2914                 0.3998                 0.4876
 Alpha2 Fr= 1--      0.2000                 0.1442                 0.0995
 Beta2  Fr= 1--      0.6622                 0.8104                 0.8436
 AlphaG Fr= 1--      0.2306                 0.0993                -0.7057
 Gamma2 Fr= 1--     -0.5524                -0.7745                -1.9954
 Delta2 Fr= 1--     -0.5127                -0.4874                 1.1113
 Raman1 Fr= 1--      54.541                 48.650                 41.525
 ROA1   Fr= 1--     -69.434                -89.953               -155.997
 CID1   Fr= 1--      -1.273                 -1.849                 -3.757
 Raman2 Fr= 1--       7.946                  9.725                 10.124
 ROA2   Fr= 1--      -9.155                -14.689                -56.779
 CID2   Fr= 1--      -1.152                 -1.510                 -5.609
 Raman3 Fr= 1--      15.892                 19.450                 20.247
 ROA3   Fr= 1--     -69.434                -89.953               -155.997
 CID3   Fr= 1--      -4.369                 -4.625                 -7.705
 RC180  Fr= 1--      -0.417                 -0.200                 -0.025
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.03    -0.01   0.06   0.06     0.05  -0.05  -0.04
     2   6    -0.00   0.02  -0.03    -0.00   0.02  -0.04     0.04  -0.11   0.02
     3   6     0.03  -0.08   0.01     0.09  -0.08   0.00     0.01   0.01  -0.08
     4   6    -0.03   0.01  -0.01     0.01   0.03   0.00    -0.02  -0.02   0.01
     5   6    -0.03  -0.01   0.02    -0.07  -0.06  -0.00    -0.02   0.02  -0.03
     6   6     0.10  -0.04  -0.03    -0.04   0.03   0.01     0.01  -0.00  -0.00
     7   8    -0.01  -0.06  -0.02     0.02   0.04   0.01     0.00  -0.01  -0.00
     8   6    -0.01   0.01  -0.04    -0.03  -0.02   0.00    -0.08   0.00   0.11
     9   6     0.04  -0.01   0.01    -0.08  -0.00  -0.11     0.07   0.03  -0.03
    10   6    -0.03   0.11  -0.01     0.05   0.01   0.06    -0.05   0.04   0.02
    11   6     0.02   0.14   0.03     0.03  -0.03  -0.01     0.01   0.02  -0.00
    12   1     0.02   0.02   0.00    -0.03   0.45   0.02     0.10   0.23   0.04
    13   1     0.13  -0.21   0.05    -0.25  -0.33   0.07    -0.04  -0.05   0.04
    14   1     0.07  -0.26   0.05     0.15  -0.10   0.02     0.02   0.20  -0.11
    15   1    -0.11  -0.04  -0.01    -0.02   0.07  -0.02    -0.04   0.16  -0.02
    16   1    -0.05   0.19   0.07     0.29   0.00   0.06    -0.02  -0.05  -0.07
    17   1    -0.04   0.02   0.01     0.12   0.00  -0.33    -0.08   0.03   0.07
    18   1    -0.02   0.02  -0.06    -0.17  -0.21   0.28     0.07   0.13  -0.29
    19   1    -0.06  -0.02   0.11    -0.04  -0.18   0.03    -0.07   0.02   0.14
    20   1     0.13  -0.13  -0.03    -0.01   0.13   0.06    -0.28   0.47   0.18
    21   1     0.02  -0.02   0.07     0.14  -0.11  -0.11     0.12  -0.07  -0.21
    22   1    -0.10   0.11   0.12    -0.00   0.11   0.01     0.11   0.06  -0.13
    23   1    -0.19   0.02   0.03     0.01   0.02   0.04    -0.06  -0.08   0.25
    24   1    -0.25   0.01  -0.03    -0.15  -0.06   0.05     0.01  -0.08   0.33
    25   1    -0.41   0.10   0.07     0.06  -0.03  -0.02    -0.07   0.02   0.02
    26   1    -0.38   0.06   0.15     0.05  -0.03  -0.02    -0.04  -0.01   0.02
    27   1     0.27  -0.31  -0.14     0.03  -0.02  -0.01     0.06  -0.06  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1009.7610              1024.5820              1049.8104
 Red. masses --      1.4208                 1.2707                 1.7335
 Frc consts  --      0.8536                 0.7859                 1.1257
 IR Inten    --      1.9126                28.0654                 0.2140
 RamAct Fr= 1--     19.8993                 1.2521                 1.0625
  Dep-P Fr= 1--      0.3147                 0.4913                 0.4924
  Dep-U Fr= 1--      0.4787                 0.6589                 0.6598
 Alpha2 Fr= 1--      0.1952                 0.0064                 0.0054
 Beta2  Fr= 1--      1.5877                 0.1375                 0.1168
 AlphaG Fr= 1--      0.6510                 0.3084                 0.2172
 Gamma2 Fr= 1--      6.7578                -0.0045                 0.7797
 Delta2 Fr= 1--      0.8032                -0.9339                -0.2568
 Raman1 Fr= 1--      79.597                  5.009                  4.250
 ROA1   Fr= 1--     674.449                -30.317                 66.638
 CID1   Fr= 1--       8.473                 -6.053                 15.679
 Raman2 Fr= 1--      19.052                  1.650                  1.402
 ROA2   Fr= 1--     155.761                  7.364                 20.768
 CID2   Fr= 1--       8.175                  4.463                 14.811
 Raman3 Fr= 1--      38.105                  3.300                  2.804
 ROA3   Fr= 1--     674.449                -30.317                 66.638
 CID3   Fr= 1--      17.700                 -9.187                 23.762
 RC180  Fr= 1--      -0.043                  0.318                  0.320
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.03  -0.01     0.02   0.02   0.01    -0.01  -0.01  -0.00
     2   6    -0.00   0.01  -0.03    -0.02   0.03   0.01     0.01  -0.01  -0.01
     3   6     0.09  -0.05   0.01    -0.02   0.02   0.02    -0.00  -0.01   0.00
     4   6    -0.02   0.01  -0.02    -0.02   0.01  -0.07     0.02  -0.01   0.06
     5   6    -0.05  -0.02   0.00    -0.00   0.02  -0.05    -0.01   0.01  -0.05
     6   6    -0.00   0.01   0.01     0.02  -0.02   0.06     0.04  -0.05   0.18
     7   8     0.01   0.01  -0.00    -0.01  -0.00  -0.01    -0.01   0.01  -0.03
     8   6     0.07   0.05   0.03     0.01  -0.01  -0.05     0.00   0.00   0.02
     9   6    -0.02  -0.01  -0.04    -0.01  -0.01   0.03     0.00   0.00  -0.01
    10   6     0.00   0.02   0.03     0.01  -0.04  -0.01    -0.00   0.02   0.00
    11   6     0.02   0.02  -0.01    -0.01   0.02  -0.06    -0.03   0.03  -0.13
    12   1     0.08  -0.08   0.06    -0.05  -0.09  -0.02     0.01   0.07   0.00
    13   1    -0.12  -0.01  -0.00     0.03   0.08  -0.02     0.01  -0.07   0.02
    14   1     0.07   0.26  -0.04     0.11  -0.01   0.06    -0.11  -0.08  -0.02
    15   1     0.15   0.15   0.09     0.02  -0.04  -0.00    -0.03  -0.01  -0.01
    16   1    -0.12  -0.12  -0.11     0.02  -0.01   0.01     0.00   0.04   0.02
    17   1     0.01  -0.11   0.34     0.03   0.03  -0.13    -0.01  -0.01   0.06
    18   1     0.10   0.02   0.17    -0.05  -0.04   0.03     0.02   0.02  -0.00
    19   1     0.19   0.15  -0.31    -0.04  -0.06   0.06     0.02   0.03  -0.03
    20   1    -0.12  -0.10  -0.09     0.14  -0.14  -0.04    -0.06   0.06   0.02
    21   1    -0.30   0.26   0.11     0.04  -0.05   0.04    -0.02   0.02  -0.02
    22   1     0.10  -0.29  -0.15    -0.07   0.07   0.09     0.03  -0.03  -0.04
    23   1    -0.07  -0.04   0.21     0.14  -0.18   0.60    -0.06   0.13  -0.45
    24   1    -0.13  -0.05   0.14     0.14  -0.14   0.52    -0.02   0.04  -0.17
    25   1    -0.08   0.02   0.02    -0.15   0.13   0.13    -0.30   0.30   0.28
    26   1    -0.02  -0.03   0.02     0.15  -0.15  -0.02     0.38  -0.36  -0.05
    27   1     0.09  -0.09  -0.02     0.03  -0.03   0.12     0.05  -0.06   0.28
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1089.9768              1156.1786              1172.4305
 Red. masses --      1.3648                 2.0951                 1.6569
 Frc consts  --      0.9554                 1.6501                 1.3419
 IR Inten    --     10.0059                 8.7249                15.9559
 RamAct Fr= 1--      9.7959                 4.7556               124.5905
  Dep-P Fr= 1--      0.3099                 0.2987                 0.3421
  Dep-U Fr= 1--      0.4732                 0.4600                 0.5098
 Alpha2 Fr= 1--      0.0975                 0.0490                 1.1221
 Beta2  Fr= 1--      0.7726                 0.3646                10.5854
 AlphaG Fr= 1--     -0.0836                 0.0992                 0.6916
 Gamma2 Fr= 1--      0.4233                -1.3877                 4.7962
 Delta2 Fr= 1--      1.2464                -1.0527                -1.0756
 Raman1 Fr= 1--      39.184                 19.022                498.362
 ROA1   Fr= 1--      80.521               -166.902                426.019
 CID1   Fr= 1--       2.055                 -8.774                  0.855
 Raman2 Fr= 1--       9.271                  4.375                127.025
 ROA2   Fr= 1--       0.187                -24.882                123.714
 CID2   Fr= 1--       0.020                 -5.687                  0.974
 Raman3 Fr= 1--      18.542                  8.750                254.049
 ROA3   Fr= 1--      80.521               -166.902                426.019
 CID3   Fr= 1--       4.343                -19.074                  1.677
 RC180  Fr= 1--      -0.054                 -0.080                  0.020
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03   0.02    -0.04  -0.01  -0.01    -0.05  -0.02  -0.05
     2   6     0.00   0.01   0.02     0.04  -0.00  -0.02     0.05   0.03   0.12
     3   6     0.10   0.02  -0.06     0.08   0.17   0.09    -0.05   0.05  -0.07
     4   6    -0.02  -0.05   0.06    -0.08  -0.10   0.02     0.01  -0.02   0.04
     5   6    -0.04   0.01  -0.00    -0.01   0.07   0.02    -0.01   0.01  -0.01
     6   6    -0.02  -0.00   0.02    -0.06  -0.00   0.01     0.02   0.00  -0.01
     7   8     0.01  -0.00  -0.00     0.00  -0.04  -0.01    -0.00   0.00   0.00
     8   6    -0.03  -0.01  -0.04    -0.01   0.01   0.01    -0.01  -0.00  -0.05
     9   6    -0.04  -0.02   0.02    -0.02  -0.04  -0.02     0.06  -0.05  -0.06
    10   6    -0.01  -0.02   0.02     0.04  -0.07  -0.10    -0.09  -0.02   0.05
    11   6     0.02   0.01  -0.01     0.05   0.03  -0.00    -0.01  -0.01   0.00
    12   1     0.04  -0.36   0.04    -0.16   0.35  -0.09     0.16   0.12   0.07
    13   1    -0.10   0.33  -0.08    -0.01  -0.14   0.01    -0.22   0.16  -0.02
    14   1     0.19   0.47  -0.09     0.34   0.25   0.17     0.48  -0.36   0.16
    15   1     0.17   0.13   0.08    -0.27  -0.41  -0.18     0.01   0.24   0.02
    16   1    -0.14  -0.16  -0.14     0.13   0.12   0.11     0.34  -0.01   0.07
    17   1     0.03   0.05  -0.20     0.01  -0.05   0.12     0.02  -0.07   0.18
    18   1    -0.07  -0.04  -0.01     0.04   0.01   0.07     0.12   0.06   0.05
    19   1    -0.07  -0.09   0.11     0.06   0.06  -0.10     0.13   0.15  -0.23
    20   1     0.13  -0.05   0.01    -0.03   0.04   0.02     0.17  -0.11  -0.02
    21   1     0.12  -0.12   0.00    -0.01   0.01  -0.01     0.07  -0.07   0.07
    22   1    -0.10   0.17   0.12     0.01   0.01  -0.01    -0.08   0.09   0.09
    23   1    -0.29   0.04  -0.18    -0.12  -0.08  -0.08    -0.06   0.02  -0.06
    24   1    -0.13   0.03  -0.04     0.23   0.07  -0.05    -0.08  -0.01   0.06
    25   1    -0.06   0.01   0.01    -0.10  -0.01  -0.02     0.02  -0.00   0.00
    26   1    -0.02  -0.02   0.02    -0.08  -0.02   0.05     0.01   0.01  -0.01
    27   1     0.08  -0.08  -0.02     0.15  -0.15  -0.07    -0.03   0.03   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1185.4253              1198.2971              1224.8745
 Red. masses --      1.8120                 1.9130                 1.5127
 Frc consts  --      1.5002                 1.6184                 1.3372
 IR Inten    --     14.7968                60.7830                 5.8358
 RamAct Fr= 1--      1.5536                 3.0211                26.7041
  Dep-P Fr= 1--      0.7403                 0.7472                 0.3994
  Dep-U Fr= 1--      0.8508                 0.8553                 0.5708
 Alpha2 Fr= 1--      0.0003                 0.0001                 0.1982
 Beta2  Fr= 1--      0.2203                 0.4307                 2.5405
 AlphaG Fr= 1--     -0.0000                 0.0066                 0.0723
 Gamma2 Fr= 1--     -0.2138                 1.1598                -1.6006
 Delta2 Fr= 1--     -0.1264                 0.8323                -0.7766
 Raman1 Fr= 1--       6.215                 12.084                106.816
 ROA1   Fr= 1--     -24.568                137.970               -178.511
 CID1   Fr= 1--      -3.953                 11.417                 -1.671
 Raman2 Fr= 1--       2.644                  5.168                 30.486
 ROA2   Fr= 1--      -4.119                 21.176                -32.202
 CID2   Fr= 1--      -1.558                  4.098                 -1.056
 Raman3 Fr= 1--       5.287                 10.336                 60.972
 ROA3   Fr= 1--     -24.568                137.970               -178.511
 CID3   Fr= 1--      -4.647                 13.349                 -2.928
 RC180  Fr= 1--       0.702                  0.711                  0.142
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.00   0.00     0.01  -0.00   0.00     0.03   0.04   0.02
     2   6     0.19   0.00  -0.00    -0.03  -0.01  -0.01    -0.10  -0.09  -0.04
     3   6     0.02  -0.05   0.06     0.01   0.06   0.03     0.03  -0.02   0.04
     4   6    -0.01   0.02  -0.05    -0.02  -0.05   0.01     0.00   0.01  -0.01
     5   6     0.00  -0.02   0.01    -0.01  -0.04  -0.01     0.01  -0.00   0.00
     6   6     0.04  -0.00  -0.01     0.22  -0.01  -0.05    -0.01  -0.00   0.01
     7   8    -0.00   0.01   0.00    -0.02   0.05   0.02     0.00  -0.00  -0.00
     8   6    -0.09  -0.01  -0.02     0.02   0.00   0.01     0.05   0.04   0.01
     9   6    -0.01  -0.06   0.02    -0.01   0.00  -0.01     0.10  -0.05  -0.02
    10   6    -0.04   0.03  -0.05     0.04  -0.02  -0.02    -0.07   0.02   0.01
    11   6    -0.02  -0.01   0.00    -0.10  -0.05   0.01     0.00   0.00  -0.00
    12   1    -0.03  -0.03  -0.00    -0.04   0.07  -0.02     0.15   0.02   0.04
    13   1    -0.07   0.26  -0.07     0.00  -0.05   0.01    -0.25   0.55  -0.10
    14   1    -0.52   0.25  -0.15     0.15   0.15   0.06    -0.13   0.10  -0.02
    15   1     0.02  -0.07   0.03    -0.15  -0.17  -0.10    -0.34  -0.05  -0.15
    16   1     0.18   0.23   0.16    -0.02   0.00  -0.00     0.40   0.18   0.19
    17   1     0.09  -0.10   0.14    -0.01   0.01  -0.02     0.03   0.05  -0.20
    18   1     0.07  -0.01   0.21    -0.01  -0.00  -0.02    -0.11  -0.07  -0.01
    19   1     0.12   0.07  -0.22    -0.02  -0.01   0.04    -0.04  -0.11   0.05
    20   1     0.08   0.14   0.10    -0.03  -0.01  -0.01    -0.08  -0.09  -0.08
    21   1     0.14  -0.14  -0.02    -0.04   0.04  -0.00    -0.16   0.15   0.07
    22   1    -0.10   0.30   0.13     0.03  -0.06  -0.03    -0.00  -0.14  -0.00
    23   1     0.02  -0.02   0.09    -0.32  -0.02   0.03    -0.01   0.01   0.00
    24   1    -0.06  -0.01  -0.02    -0.60  -0.04   0.12     0.00   0.00  -0.01
    25   1     0.03   0.01   0.02     0.12   0.06   0.08    -0.01  -0.00  -0.00
    26   1     0.02   0.01  -0.02     0.08   0.10  -0.08    -0.00  -0.01   0.00
    27   1    -0.07   0.07   0.04    -0.33   0.35   0.17     0.02  -0.02  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1245.7561              1267.5923              1282.9241
 Red. masses --      1.6186                 1.4689                 1.9230
 Frc consts  --      1.4800                 1.3906                 1.8648
 IR Inten    --     10.2939                 4.8132                 4.6136
 RamAct Fr= 1--     24.9427                 6.8356                16.5940
  Dep-P Fr= 1--      0.3143                 0.4124                 0.3306
  Dep-U Fr= 1--      0.4782                 0.5840                 0.4969
 Alpha2 Fr= 1--      0.2450                 0.0484                 0.1550
 Beta2  Fr= 1--      1.9881                 0.6653                 1.3743
 AlphaG Fr= 1--      0.1224                -0.0591                -0.2630
 Gamma2 Fr= 1--      1.3654                 2.8068                 2.5269
 Delta2 Fr= 1--     -3.5607                 0.9646                 0.9914
 Raman1 Fr= 1--      99.771                 27.343                 66.376
 ROA1   Fr= 1--      17.139                300.324                274.307
 CID1   Fr= 1--       0.172                 10.984                  4.133
 Raman2 Fr= 1--      23.857                  7.984                 16.491
 ROA2   Fr= 1--      61.256                 59.648                 52.715
 CID2   Fr= 1--       2.568                  7.471                  3.197
 Raman3 Fr= 1--      47.714                 15.967                 32.982
 ROA3   Fr= 1--      17.139                300.324                274.307
 CID3   Fr= 1--       0.359                 18.809                  8.317
 RC180  Fr= 1--      -0.044                  0.168                 -0.006
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.07  -0.00     0.02  -0.02   0.02     0.01  -0.06   0.02
     2   6    -0.04   0.17  -0.01    -0.04   0.04  -0.08     0.00   0.18  -0.11
     3   6     0.02  -0.03   0.04     0.00  -0.02   0.01     0.01   0.02   0.01
     4   6     0.01   0.00  -0.01     0.02   0.01   0.01     0.00  -0.00  -0.02
     5   6     0.01  -0.00   0.00    -0.00  -0.01  -0.00     0.01  -0.00   0.00
     6   6    -0.01  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00   0.00
     7   8     0.00   0.00  -0.00     0.00   0.01   0.00     0.00  -0.00  -0.00
     8   6     0.01  -0.06   0.02     0.02  -0.01   0.03    -0.01  -0.06   0.04
     9   6    -0.01   0.07  -0.05     0.03  -0.04   0.08     0.01  -0.14   0.01
    10   6    -0.05  -0.06  -0.00    -0.09  -0.04  -0.10     0.06   0.04   0.07
    11   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   1     0.24  -0.49   0.11    -0.24   0.32  -0.13    -0.10   0.13  -0.05
    13   1    -0.03  -0.25   0.06     0.12   0.14  -0.02    -0.26   0.51  -0.12
    14   1    -0.05   0.22  -0.01     0.21   0.03   0.07    -0.02  -0.34   0.04
    15   1    -0.12  -0.04  -0.06     0.63   0.19   0.33    -0.23  -0.08  -0.09
    16   1     0.50   0.11   0.20     0.20   0.19   0.15    -0.28  -0.22  -0.20
    17   1    -0.15   0.04   0.15    -0.06   0.03   0.01    -0.13   0.03   0.14
    18   1     0.06   0.08  -0.17    -0.02  -0.00  -0.05     0.05   0.05  -0.08
    19   1    -0.06   0.11   0.15    -0.04  -0.00   0.09    -0.04   0.11   0.13
    20   1    -0.03   0.06   0.03    -0.08   0.06   0.01    -0.06   0.14   0.07
    21   1     0.11  -0.09  -0.16    -0.04   0.03  -0.07     0.05  -0.05  -0.18
    22   1     0.11  -0.02  -0.11     0.08  -0.04  -0.07     0.14   0.06  -0.12
    23   1    -0.01   0.00   0.01    -0.05   0.03  -0.01    -0.05  -0.01   0.04
    24   1    -0.06   0.00   0.01    -0.07  -0.01  -0.01    -0.03   0.00   0.00
    25   1    -0.00  -0.00  -0.01     0.00   0.00   0.00     0.00  -0.00  -0.01
    26   1     0.00  -0.01   0.00     0.01   0.00  -0.00     0.00  -0.01   0.00
    27   1     0.01  -0.01  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1311.1183              1325.3571              1342.3203
 Red. masses --      1.7779                 1.7302                 1.4733
 Frc consts  --      1.8007                 1.7907                 1.5640
 IR Inten    --     48.0088                31.0164                17.1671
 RamAct Fr= 1--     28.1148                 4.8915                41.8283
  Dep-P Fr= 1--      0.2331                 0.6124                 0.2234
  Dep-U Fr= 1--      0.3780                 0.7596                 0.3653
 Alpha2 Fr= 1--      0.3492                 0.0124                 0.5334
 Beta2  Fr= 1--      1.7713                 0.6193                 2.5464
 AlphaG Fr= 1--      0.0294                 0.0474                -0.1034
 Gamma2 Fr= 1--      4.9379                 3.4379                 0.5963
 Delta2 Fr= 1--      3.3934                 0.1666                -0.0653
 Raman1 Fr= 1--     112.459                 19.566                167.313
 ROA1   Fr= 1--     582.630                335.371                 55.151
 CID1   Fr= 1--       5.181                 17.140                  0.330
 Raman2 Fr= 1--      21.255                  7.431                 30.556
 ROA2   Fr= 1--      91.363                 81.177                 14.833
 CID2   Fr= 1--       4.298                 10.924                  0.485
 Raman3 Fr= 1--      42.511                 14.862                 61.113
 ROA3   Fr= 1--     582.630                335.371                 55.151
 CID3   Fr= 1--      13.705                 22.565                  0.902
 RC180  Fr= 1--      -0.244                  0.519                 -0.269
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03  -0.03     0.02  -0.02  -0.02     0.00  -0.00   0.00
     2   6    -0.08   0.06   0.17    -0.07   0.06   0.10    -0.00   0.00  -0.01
     3   6    -0.03  -0.04   0.00     0.08  -0.06  -0.03     0.06   0.04  -0.00
     4   6     0.06   0.05  -0.01    -0.08  -0.02   0.01    -0.06   0.10   0.04
     5   6     0.06  -0.06  -0.03    -0.09   0.05   0.04    -0.04  -0.11  -0.02
     6   6    -0.07   0.00   0.02     0.10  -0.01  -0.02     0.08  -0.00  -0.02
     7   8     0.01   0.01  -0.00    -0.02  -0.01   0.00    -0.01  -0.00   0.00
     8   6     0.02  -0.01  -0.04     0.01  -0.01  -0.03     0.00  -0.00   0.00
     9   6     0.02  -0.05  -0.02     0.02  -0.05  -0.01    -0.00   0.01  -0.01
    10   6     0.04   0.01  -0.03     0.00   0.02   0.00    -0.02  -0.02   0.01
    11   6     0.00   0.01   0.00    -0.01  -0.02  -0.00    -0.02  -0.02  -0.00
    12   1    -0.13   0.47  -0.08    -0.07   0.27  -0.05     0.02  -0.06   0.00
    13   1    -0.04  -0.09   0.02    -0.08   0.00   0.01    -0.03  -0.02   0.01
    14   1    -0.27   0.37  -0.12    -0.11   0.24  -0.12    -0.02  -0.11  -0.00
    15   1    -0.04  -0.11  -0.03     0.02   0.01   0.02     0.02   0.03   0.02
    16   1    -0.08   0.04  -0.01    -0.04  -0.01  -0.03     0.04  -0.04  -0.01
    17   1    -0.06   0.03  -0.05    -0.06   0.04  -0.04    -0.00   0.00  -0.00
    18   1     0.08   0.11  -0.17     0.04   0.07  -0.13     0.00  -0.00   0.00
    19   1     0.05   0.13  -0.04     0.02   0.08   0.00    -0.01   0.01   0.01
    20   1     0.11  -0.12  -0.04     0.07  -0.09  -0.03    -0.01   0.01   0.00
    21   1     0.07  -0.06   0.06     0.07  -0.05   0.02    -0.01   0.01  -0.01
    22   1    -0.03  -0.06   0.02    -0.01  -0.06  -0.01     0.01   0.01  -0.00
    23   1    -0.51   0.08   0.15     0.73  -0.08  -0.20    -0.42   0.12   0.14
    24   1    -0.08  -0.06  -0.00     0.24   0.05  -0.04     0.78  -0.12  -0.21
    25   1     0.03  -0.03  -0.05    -0.05   0.06   0.10    -0.02   0.07   0.10
    26   1     0.04  -0.05   0.01    -0.08   0.10  -0.03    -0.05   0.10  -0.04
    27   1     0.06  -0.08  -0.03    -0.09   0.13   0.05    -0.08   0.09   0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1378.4203              1385.9666              1406.8266
 Red. masses --      1.6606                 1.3607                 1.2843
 Frc consts  --      1.8590                 1.5400                 1.4976
 IR Inten    --      0.8631                59.2340                 9.3879
 RamAct Fr= 1--     27.4692                 1.9236                 2.2287
  Dep-P Fr= 1--      0.3702                 0.1858                 0.3175
  Dep-U Fr= 1--      0.5403                 0.3134                 0.4820
 Alpha2 Fr= 1--      0.2256                 0.0271                 0.0217
 Beta2  Fr= 1--      2.4737                 0.1005                 0.1790
 AlphaG Fr= 1--     -0.1341                 0.0327                -0.0101
 Gamma2 Fr= 1--     -1.8874                -0.2300                 0.1522
 Delta2 Fr= 1--      0.1174                 0.0557                 0.2814
 Raman1 Fr= 1--     109.877                  7.694                  8.915
 ROA1   Fr= 1--    -177.431                -20.301                 23.619
 CID1   Fr= 1--      -1.615                 -2.638                  2.649
 Raman2 Fr= 1--      29.684                  1.206                  2.148
 ROA2   Fr= 1--     -46.236                 -5.966                  1.402
 CID2   Fr= 1--      -1.558                 -4.948                  0.652
 Raman3 Fr= 1--      59.369                  2.411                  4.297
 ROA3   Fr= 1--    -177.431                -20.301                 23.619
 CID3   Fr= 1--      -2.989                 -8.419                  5.497
 RC180  Fr= 1--       0.081                 -0.373                 -0.036
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00     0.00  -0.00  -0.00     0.03   0.02  -0.08
     2   6     0.04   0.01  -0.04    -0.00   0.00  -0.00    -0.02   0.01   0.03
     3   6    -0.16  -0.14  -0.01     0.01  -0.01  -0.00     0.02   0.00  -0.00
     4   6     0.03   0.07   0.05    -0.03   0.01   0.01    -0.00  -0.01  -0.00
     5   6    -0.01  -0.03  -0.01    -0.02  -0.01   0.00    -0.00   0.00   0.00
     6   6     0.01  -0.00  -0.00     0.07  -0.01  -0.02    -0.00   0.00   0.00
     7   8    -0.00   0.00   0.00    -0.01   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00     0.07  -0.08  -0.05
     9   6     0.00  -0.01   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    10   6     0.05   0.04  -0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    11   6     0.00  -0.01  -0.00    -0.12   0.09   0.05     0.00   0.00  -0.00
    12   1     0.04   0.01   0.05     0.00  -0.00   0.00    -0.01   0.04  -0.01
    13   1     0.08   0.10  -0.05    -0.00   0.01  -0.00    -0.02  -0.03   0.01
    14   1     0.63   0.53   0.15     0.04   0.03   0.00    -0.07  -0.01  -0.03
    15   1    -0.22  -0.12  -0.15    -0.01   0.00  -0.00     0.02  -0.02   0.02
    16   1    -0.07   0.11   0.05    -0.00  -0.00  -0.00     0.03  -0.03  -0.03
    17   1     0.03  -0.03   0.06     0.00  -0.00   0.00    -0.05   0.03   0.34
    18   1     0.02  -0.02   0.07     0.00   0.00   0.00    -0.01  -0.21   0.27
    19   1    -0.04  -0.01   0.03    -0.01   0.00   0.01    -0.24  -0.05   0.26
    20   1    -0.02   0.06   0.02     0.00  -0.00  -0.00    -0.20   0.38   0.01
    21   1    -0.06   0.03  -0.02     0.00  -0.00  -0.00    -0.38   0.18   0.18
    22   1     0.02   0.08   0.01     0.00   0.00  -0.00    -0.12   0.30   0.32
    23   1     0.11   0.09  -0.05     0.08   0.00  -0.02     0.01  -0.01  -0.00
    24   1     0.20  -0.04  -0.04     0.10  -0.01  -0.02    -0.02   0.00   0.00
    25   1    -0.02   0.02   0.04     0.39  -0.22  -0.41    -0.00  -0.00  -0.00
    26   1    -0.03   0.04  -0.01     0.50  -0.34   0.06     0.00  -0.00   0.00
    27   1    -0.03   0.04   0.01     0.18  -0.40  -0.15     0.00  -0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1423.8574              1464.8051              1474.3295
 Red. masses --      1.2283                 1.0589                 1.0480
 Frc consts  --      1.4672                 1.3387                 1.3421
 IR Inten    --      3.3188                14.4194                 9.2732
 RamAct Fr= 1--      2.1334                 7.8997                 5.4346
  Dep-P Fr= 1--      0.6447                 0.3596                 0.7499
  Dep-U Fr= 1--      0.7840                 0.5290                 0.8570
 Alpha2 Fr= 1--      0.0040                 0.0672                 0.0000
 Beta2  Fr= 1--      0.2788                 0.6965                 0.7763
 AlphaG Fr= 1--      0.0149                -0.0240                -0.0006
 Gamma2 Fr= 1--      0.2857                -0.6576                 0.0751
 Delta2 Fr= 1--     -0.0832                -0.1530                -0.0466
 Raman1 Fr= 1--       8.534                 31.599                 21.738
 ROA1   Fr= 1--      24.767                -68.022                  5.724
 CID1   Fr= 1--       2.902                 -2.153                  0.263
 Raman2 Fr= 1--       3.345                  8.358                  9.315
 ROA2   Fr= 1--       7.524                -14.557                  2.176
 CID2   Fr= 1--       2.249                 -1.742                  0.234
 Raman3 Fr= 1--       6.691                 16.717                 18.631
 ROA3   Fr= 1--      24.767                -68.022                  5.724
 CID3   Fr= 1--       3.702                 -4.069                  0.307
 RC180  Fr= 1--       0.568                  0.058                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04  -0.10     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.01   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.01  -0.01  -0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.00   0.01   0.00     0.00  -0.00   0.01
     6   6    -0.00  -0.00   0.00    -0.01   0.02   0.01    -0.00   0.01  -0.02
     7   8     0.00   0.00  -0.00     0.00  -0.02  -0.01     0.00  -0.00   0.00
     8   6    -0.05   0.07   0.03    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.01  -0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.01  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    11   6     0.00  -0.00  -0.00    -0.05  -0.03   0.00    -0.01   0.01  -0.05
    12   1    -0.05   0.02  -0.05     0.00  -0.00   0.00     0.00   0.00   0.00
    13   1    -0.06   0.01   0.02     0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.03   0.02  -0.01    -0.01  -0.00  -0.00     0.01   0.00   0.00
    15   1     0.01  -0.03   0.02     0.00  -0.01   0.00     0.00  -0.00   0.00
    16   1     0.02  -0.01  -0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   1     0.00   0.00   0.45    -0.01   0.00  -0.00    -0.00   0.00   0.00
    18   1    -0.02  -0.26   0.35    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    19   1    -0.31  -0.14   0.31     0.00   0.00  -0.00     0.00  -0.00  -0.00
    20   1     0.15  -0.29  -0.02     0.00   0.00   0.00     0.00   0.00   0.00
    21   1     0.31  -0.15  -0.09     0.00  -0.00   0.00    -0.00   0.00   0.00
    22   1     0.06  -0.27  -0.23    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    23   1    -0.01   0.01  -0.00     0.00  -0.01  -0.00     0.00  -0.00   0.01
    24   1     0.00  -0.00  -0.01    -0.04   0.01   0.01     0.00   0.00  -0.01
    25   1    -0.00   0.00   0.00     0.32   0.36   0.40     0.48   0.10  -0.02
    26   1    -0.00   0.00  -0.00     0.17   0.54  -0.27    -0.45  -0.12   0.13
    27   1     0.00  -0.00   0.00     0.18  -0.39  -0.15     0.15  -0.18   0.69
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1482.5115              1484.4332              1493.6480
 Red. masses --      1.0670                 1.0506                 1.0623
 Frc consts  --      1.3818                 1.3639                 1.3963
 IR Inten    --      0.7195                 0.0417                 5.8390
 RamAct Fr= 1--      3.6516                 8.7979                 3.9352
  Dep-P Fr= 1--      0.7499                 0.7405                 0.6311
  Dep-U Fr= 1--      0.8571                 0.8509                 0.7738
 Alpha2 Fr= 1--      0.0000                 0.0014                 0.0085
 Beta2  Fr= 1--      0.5216                 1.2477                 0.5075
 AlphaG Fr= 1--      0.0003                -0.0010                 0.0289
 Gamma2 Fr= 1--      1.5667                -2.6930                -0.0537
 Delta2 Fr= 1--      0.1934                -0.5353                 0.9109
 Raman1 Fr= 1--      14.607                 35.192                 15.741
 ROA1   Fr= 1--     156.597               -275.653                 23.998
 CID1   Fr= 1--      10.721                 -7.833                  1.525
 Raman2 Fr= 1--       6.259                 14.972                  6.090
 ROA2   Fr= 1--      36.054                -60.349                 -8.575
 CID2   Fr= 1--       5.760                 -4.031                 -1.408
 Raman3 Fr= 1--      12.519                 29.944                 12.181
 ROA3   Fr= 1--     156.597               -275.653                 23.998
 CID3   Fr= 1--      12.509                 -9.206                  1.970
 RC180  Fr= 1--       0.714                  0.702                  0.548
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.01     0.03   0.01   0.01    -0.01   0.02  -0.00
     2   6     0.00  -0.01  -0.01    -0.00  -0.00  -0.01    -0.02  -0.00   0.02
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.01   0.02  -0.00    -0.03  -0.01  -0.03    -0.01  -0.02   0.03
     9   6    -0.05  -0.01  -0.01    -0.02  -0.01  -0.00    -0.02  -0.01  -0.01
    10   6    -0.02   0.03   0.00    -0.01   0.02   0.00    -0.02   0.03   0.00
    11   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    12   1     0.24   0.14   0.30     0.12   0.07   0.15     0.14   0.11   0.17
    13   1     0.35   0.09  -0.19     0.17   0.05  -0.09     0.20   0.03  -0.10
    14   1     0.00  -0.02   0.00     0.01   0.00   0.01    -0.04   0.01  -0.01
    15   1     0.05  -0.25   0.15     0.02  -0.17   0.09     0.05  -0.26   0.16
    16   1     0.17  -0.16  -0.17     0.11  -0.10  -0.11     0.18  -0.17  -0.18
    17   1    -0.05   0.03  -0.21    -0.28   0.18   0.13     0.23  -0.15   0.10
    18   1     0.21   0.03   0.22    -0.34  -0.22  -0.11     0.03   0.12  -0.13
    19   1    -0.05   0.33   0.15     0.15  -0.04  -0.17    -0.06  -0.27  -0.01
    20   1    -0.23   0.02  -0.09     0.35   0.26   0.21     0.16  -0.26   0.00
    21   1     0.18  -0.09   0.02    -0.04  -0.05   0.41    -0.23   0.18  -0.33
    22   1    -0.18  -0.21   0.16     0.12  -0.10  -0.24     0.22   0.38  -0.14
    23   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    24   1     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00   0.00
    25   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01    -0.00   0.00   0.00
    26   1    -0.00  -0.00   0.00     0.00  -0.01   0.00     0.00   0.00  -0.00
    27   1    -0.00   0.00   0.00    -0.00   0.01  -0.00    -0.00  -0.00  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1501.9638              1505.2722              1508.2948
 Red. masses --      1.1018                 1.0553                 1.0800
 Frc consts  --      1.4645                 1.4088                 1.4475
 IR Inten    --      3.7668                 7.8643                 5.7831
 RamAct Fr= 1--     15.5949                 3.7036                 1.7626
  Dep-P Fr= 1--      0.3948                 0.7480                 0.6323
  Dep-U Fr= 1--      0.5661                 0.8559                 0.7748
 Alpha2 Fr= 1--      0.1177                 0.0001                 0.0038
 Beta2  Fr= 1--      1.4714                 0.5283                 0.2276
 AlphaG Fr= 1--      0.0100                -0.0036                -0.0007
 Gamma2 Fr= 1--     -0.5550                 0.7512                 0.0945
 Delta2 Fr= 1--     -1.6480                -1.0923                 0.2530
 Raman1 Fr= 1--      62.380                 14.814                  7.050
 ROA1   Fr= 1--    -106.019                 37.167                 17.171
 CID1   Fr= 1--      -1.700                  2.509                  2.435
 Raman2 Fr= 1--      17.656                  6.339                  2.731
 ROA2   Fr= 1--      -0.137                 26.768                  0.245
 CID2   Fr= 1--      -0.008                  4.222                  0.090
 Raman3 Fr= 1--      35.313                 12.679                  5.462
 ROA3   Fr= 1--    -106.019                 37.167                 17.171
 CID3   Fr= 1--      -3.002                  2.931                  3.143
 RC180  Fr= 1--       0.132                  0.712                  0.550
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01     0.00  -0.03  -0.02    -0.03  -0.00   0.01
     2   6    -0.03   0.02  -0.01    -0.01  -0.04   0.00    -0.01  -0.00  -0.02
     3   6     0.02   0.01   0.01     0.01   0.00   0.00    -0.01  -0.01  -0.00
     4   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.01  -0.02    -0.03  -0.01   0.01    -0.01  -0.00  -0.02
     9   6    -0.04  -0.02  -0.01     0.01   0.01   0.00     0.04   0.02   0.01
    10   6     0.02  -0.05   0.00     0.00  -0.01  -0.00    -0.02   0.04   0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   1     0.20   0.13   0.25    -0.02  -0.02  -0.03    -0.18  -0.12  -0.22
    13   1     0.28   0.09  -0.17    -0.02  -0.01   0.02    -0.25  -0.05   0.14
    14   1    -0.05  -0.03  -0.01    -0.02  -0.00  -0.00     0.03   0.02   0.01
    15   1    -0.05   0.34  -0.19    -0.01   0.10  -0.05     0.05  -0.28   0.16
    16   1    -0.21   0.19   0.24    -0.06   0.07   0.07     0.19  -0.16  -0.19
    17   1     0.31  -0.21   0.04    -0.16   0.10  -0.29     0.31  -0.21  -0.12
    18   1     0.20   0.20  -0.03     0.23  -0.04   0.34     0.29   0.25   0.01
    19   1    -0.15  -0.19   0.12    -0.05   0.49   0.19    -0.13  -0.06   0.13
    20   1     0.16   0.17   0.11     0.35  -0.07   0.12     0.16   0.25   0.13
    21   1     0.00  -0.05   0.25    -0.23   0.13  -0.02     0.00  -0.06   0.34
    22   1     0.04  -0.11  -0.12     0.25   0.24  -0.26     0.02  -0.16  -0.10
    23   1    -0.01  -0.00   0.00     0.01  -0.01   0.00     0.01   0.00  -0.01
    24   1    -0.01   0.00  -0.00    -0.01   0.00   0.00     0.00  -0.00   0.00
    25   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1674.9731              1763.3000              3013.7268
 Red. masses --      6.8538                 8.4458                 1.0782
 Frc consts  --     11.3291                15.4719                 5.7699
 IR Inten    --    257.1682               111.8844                 8.4445
 RamAct Fr= 1--    672.6450                24.0634                89.4705
  Dep-P Fr= 1--      0.2758                 0.7427                 0.4562
  Dep-U Fr= 1--      0.4324                 0.8524                 0.6266
 Alpha2 Fr= 1--      7.4068                 0.0030                 0.5348
 Beta2  Fr= 1--     48.4769                 3.4185                 9.3434
 AlphaG Fr= 1--      3.5471                 0.0244                -0.6499
 Gamma2 Fr= 1--     41.7671                -1.2194                -2.8958
 Delta2 Fr= 1--      0.4236                -1.0140               -11.6144
 Raman1 Fr= 1--    2690.580                 96.254                357.882
 ROA1   Fr= 1--    4023.192               -149.507               -649.657
 CID1   Fr= 1--       1.495                 -1.553                 -1.815
 Raman2 Fr= 1--     581.722                 41.022                112.121
 ROA2   Fr= 1--     999.021                -21.153                 23.416
 CID2   Fr= 1--       1.717                 -0.516                  0.209
 Raman3 Fr= 1--    1163.445                 82.043                224.242
 ROA3   Fr= 1--    4023.192               -149.507               -649.657
 CID3   Fr= 1--       3.458                 -1.822                 -2.897
 RC180  Fr= 1--      -0.135                  0.705                  0.253
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.02   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.06  -0.01   0.02     0.03  -0.01  -0.01     0.02  -0.01  -0.07
     4   6     0.42  -0.14  -0.14    -0.21   0.09   0.08     0.00   0.00  -0.00
     5   6    -0.40   0.13   0.13     0.20  -0.12  -0.08    -0.00  -0.00  -0.00
     6   6     0.10   0.25   0.04     0.05   0.58   0.14     0.00   0.00  -0.00
     7   8    -0.04  -0.17  -0.04    -0.05  -0.37  -0.08     0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01   0.01
     9   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.01  -0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00   0.01
    11   6     0.00  -0.01  -0.00    -0.00  -0.04  -0.01     0.00  -0.00   0.00
    12   1     0.01   0.01   0.01    -0.00  -0.00  -0.00     0.01   0.00  -0.01
    13   1     0.03   0.01  -0.01    -0.01   0.00   0.00     0.01   0.01   0.02
    14   1    -0.14  -0.00  -0.01     0.09   0.03   0.00    -0.28   0.12   0.90
    15   1    -0.02  -0.01  -0.03     0.01   0.01   0.01     0.04  -0.02  -0.06
    16   1     0.00   0.03   0.03    -0.00  -0.01  -0.01    -0.00   0.03  -0.03
    17   1     0.02  -0.01   0.00    -0.01   0.00   0.00    -0.01  -0.01  -0.00
    18   1     0.02   0.01  -0.00    -0.01  -0.00  -0.00    -0.01   0.01   0.00
    19   1    -0.02  -0.01   0.03     0.01  -0.00  -0.01     0.01  -0.00   0.01
    20   1     0.01   0.00   0.00    -0.00   0.00  -0.00     0.06   0.06  -0.16
    21   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.09  -0.14  -0.02
    22   1     0.01  -0.02  -0.02    -0.00  -0.00   0.00     0.12  -0.03   0.10
    23   1    -0.48  -0.11   0.09     0.24   0.09  -0.03    -0.00  -0.04  -0.01
    24   1     0.37   0.16  -0.03    -0.41  -0.14   0.05     0.00   0.01   0.00
    25   1     0.02  -0.06  -0.08     0.03  -0.11  -0.13    -0.00   0.00  -0.00
    26   1     0.04  -0.09   0.02     0.06  -0.16   0.03     0.00   0.00   0.00
    27   1    -0.06   0.10   0.04    -0.11   0.19   0.08    -0.00  -0.00   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3018.7105              3029.3449              3029.5849
 Red. masses --      1.0382                 1.0359                 1.0378
 Frc consts  --      5.5740                 5.6010                 5.6123
 IR Inten    --     35.2990                21.3312                 3.2202
 RamAct Fr= 1--    168.3293               221.9180               216.2028
  Dep-P Fr= 1--      0.0366                 0.0245                 0.0190
  Dep-U Fr= 1--      0.0707                 0.0477                 0.0374
 Alpha2 Fr= 1--      3.4323                 4.6568                 4.5950
 Beta2  Fr= 1--      1.9825                 1.7658                 1.3468
 AlphaG Fr= 1--     -1.1883                 0.0312                -0.7562
 Gamma2 Fr= 1--     -4.2338                 3.2327                -0.8762
 Delta2 Fr= 1--     -2.7881                 0.4362                 2.3088
 Raman1 Fr= 1--     673.317                887.672                864.811
 ROA1   Fr= 1--    -495.667                324.296                -10.232
 CID1   Fr= 1--      -0.736                  0.365                 -0.012
 Raman2 Fr= 1--      23.790                 21.190                 16.162
 ROA2   Fr= 1--     -79.306                 74.095                -39.500
 CID2   Fr= 1--      -3.334                  3.497                 -2.444
 Raman3 Fr= 1--      47.581                 42.380                 32.323
 ROA3   Fr= 1--    -495.667                324.296                -10.232
 CID3   Fr= 1--     -10.417                  7.652                 -0.317
 RC180  Fr= 1--      -0.859                 -0.905                 -0.925
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.01     0.01   0.02  -0.04    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.01  -0.00  -0.02    -0.00   0.00   0.01    -0.00  -0.00  -0.00
     4   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     8   6     0.03  -0.04  -0.01    -0.01   0.01   0.00     0.00  -0.00  -0.00
     9   6    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.02  -0.04  -0.02
    12   1     0.03   0.00  -0.03    -0.05  -0.01   0.05     0.00   0.00  -0.00
    13   1     0.01   0.01   0.03    -0.02  -0.02  -0.07     0.00   0.00   0.00
    14   1    -0.08   0.03   0.25     0.02  -0.01  -0.08    -0.00  -0.00   0.00
    15   1     0.01  -0.01  -0.02     0.01  -0.01  -0.02    -0.00   0.00   0.00
    16   1    -0.00   0.01  -0.01    -0.00  -0.01   0.01     0.00   0.00  -0.00
    17   1    -0.07  -0.12  -0.01    -0.29  -0.46  -0.05     0.01   0.01   0.00
    18   1    -0.06   0.08   0.04    -0.28   0.35   0.19     0.01  -0.01  -0.01
    19   1     0.13  -0.03   0.09     0.50  -0.10   0.37    -0.01   0.00  -0.01
    20   1    -0.16  -0.15   0.43     0.04   0.04  -0.11    -0.00  -0.00   0.00
    21   1     0.30   0.46   0.06    -0.07  -0.11  -0.02     0.00   0.00   0.00
    22   1    -0.45   0.11  -0.34     0.10  -0.03   0.07    -0.00   0.00  -0.00
    23   1    -0.00  -0.01  -0.00     0.00   0.01   0.00    -0.00   0.00   0.00
    24   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.02  -0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.02  -0.01    -0.07   0.50  -0.41
    26   1    -0.00  -0.00  -0.00     0.00   0.01   0.02     0.15   0.24   0.60
    27   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.31  -0.20   0.02
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3051.4533              3066.2845              3076.2809
 Red. masses --      1.0575                 1.0594                 1.1011
 Frc consts  --      5.8017                 5.8688                 6.1396
 IR Inten    --     46.2053                22.3661                16.4403
 RamAct Fr= 1--    213.0005               142.8086                65.3843
  Dep-P Fr= 1--      0.1074                 0.0619                 0.6649
  Dep-U Fr= 1--      0.1939                 0.1167                 0.7987
 Alpha2 Fr= 1--      3.6623                 2.7416                 0.0991
 Beta2  Fr= 1--      6.8850                 2.7767                 8.7037
 AlphaG Fr= 1--     -0.1008                 0.3921                 0.1428
 Gamma2 Fr= 1--      2.9685                 3.6798                -2.0556
 Delta2 Fr= 1--     -4.9219                -7.9837                 3.6117
 Raman1 Fr= 1--     852.002                571.234                261.537
 ROA1   Fr= 1--     127.477                 97.778                -81.766
 CID1   Fr= 1--       0.150                  0.171                 -0.313
 Raman2 Fr= 1--      82.620                 33.320                104.444
 ROA2   Fr= 1--     110.619                152.184                -78.229
 CID2   Fr= 1--       1.339                  4.567                 -0.749
 Raman3 Fr= 1--     165.240                 66.641                208.888
 ROA3   Fr= 1--     127.477                 97.778                -81.766
 CID3   Fr= 1--       0.771                  1.467                 -0.391
 RC180  Fr= 1--      -0.612                 -0.767                  0.597
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.01  -0.00     0.02   0.01   0.01
     2   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.07  -0.03  -0.04
     9   6    -0.06  -0.02  -0.01    -0.01  -0.00   0.01    -0.00  -0.00  -0.00
    10   6    -0.00   0.01  -0.00     0.03  -0.06  -0.01     0.00  -0.00   0.00
    11   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   1     0.51   0.08  -0.52     0.13   0.02  -0.12    -0.00   0.00   0.00
    13   1     0.21   0.20   0.58    -0.00  -0.00   0.00     0.01   0.01   0.03
    14   1     0.01  -0.01  -0.05    -0.01   0.00   0.02    -0.00  -0.00   0.01
    15   1     0.03  -0.02  -0.05    -0.42   0.22   0.60    -0.01   0.00   0.01
    16   1    -0.01  -0.10   0.10     0.02   0.43  -0.44     0.00   0.02  -0.02
    17   1    -0.03  -0.05  -0.00    -0.02  -0.02  -0.00    -0.08  -0.13  -0.01
    18   1    -0.02   0.03   0.02     0.02  -0.03  -0.02    -0.01   0.03   0.02
    19   1     0.04  -0.01   0.03     0.05  -0.01   0.04    -0.11   0.03  -0.08
    20   1     0.00   0.00  -0.01     0.01   0.01  -0.02    -0.03  -0.02   0.02
    21   1    -0.03  -0.05  -0.01    -0.01  -0.02  -0.00     0.35   0.57   0.07
    22   1     0.04  -0.01   0.03    -0.01   0.00  -0.00     0.54  -0.16   0.41
    23   1     0.00   0.00   0.00    -0.00   0.01   0.00    -0.00  -0.01  -0.00
    24   1     0.00   0.00   0.00    -0.00  -0.03  -0.01    -0.00  -0.00  -0.00
    25   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3081.3649              3085.1440              3088.1857
 Red. masses --      1.0984                 1.1019                 1.1012
 Frc consts  --      6.1448                 6.1796                 6.1878
 IR Inten    --      8.9887                23.6008                38.2279
 RamAct Fr= 1--     63.2705                59.9893                95.6007
  Dep-P Fr= 1--      0.7462                 0.7226                 0.7409
  Dep-U Fr= 1--      0.8547                 0.8389                 0.8512
 Alpha2 Fr= 1--      0.0041                 0.0283                 0.0148
 Beta2  Fr= 1--      9.0125                 8.3880                13.5622
 AlphaG Fr= 1--      0.0092                -0.0439                 0.0242
 Gamma2 Fr= 1--      1.0022                17.0713                17.9533
 Delta2 Fr= 1--     -1.5448                 5.9826                11.2236
 Raman1 Fr= 1--     253.082                239.957                382.403
 ROA1   Fr= 1--      46.781               1830.289               2082.672
 CID1   Fr= 1--       0.185                  7.628                  5.446
 Raman2 Fr= 1--     108.150                100.656                162.746
 ROA2   Fr= 1--      36.413                361.851                341.090
 CID2   Fr= 1--       0.337                  3.595                  2.096
 Raman3 Fr= 1--     216.299                201.312                325.492
 ROA3   Fr= 1--      46.781               1830.289               2082.672
 CID3   Fr= 1--       0.216                  9.092                  6.399
 RC180  Fr= 1--       0.709                  0.678                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00    -0.08  -0.02  -0.03
     2   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00     0.02   0.05  -0.07    -0.02  -0.01  -0.01
     9   6    -0.00  -0.00  -0.00    -0.00   0.00   0.02    -0.00   0.00   0.01
    10   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
    11   6    -0.02   0.02  -0.09    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   1    -0.00  -0.00   0.00     0.07   0.01  -0.06     0.06   0.01  -0.05
    13   1     0.00   0.00   0.00    -0.05  -0.05  -0.14    -0.03  -0.03  -0.08
    14   1    -0.00   0.00   0.00    -0.01   0.00   0.03     0.00   0.00   0.00
    15   1     0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.00   0.00   0.01
    16   1    -0.00  -0.00   0.00    -0.00  -0.01   0.01    -0.00  -0.06   0.06
    17   1     0.00   0.00   0.00     0.02   0.04   0.00     0.32   0.53   0.04
    18   1     0.00  -0.00  -0.00    -0.04   0.05   0.03     0.11  -0.16  -0.10
    19   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.54  -0.12   0.42
    20   1     0.00   0.00  -0.00    -0.28  -0.24   0.75     0.01   0.01  -0.02
    21   1     0.00   0.00   0.00    -0.20  -0.31  -0.06     0.08   0.14   0.02
    22   1     0.00  -0.00   0.00     0.28  -0.06   0.19     0.11  -0.03   0.08
    23   1    -0.00   0.00  -0.00     0.00   0.01   0.00    -0.00  -0.03  -0.01
    24   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    25   1     0.08  -0.56   0.43     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.16   0.27   0.62     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1     0.00   0.01  -0.02     0.00   0.00  -0.00     0.00   0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3095.0380              3097.5290              3115.2948
 Red. masses --      1.1075                 1.1009                 1.1076
 Frc consts  --      6.2507                 6.2237                 6.3335
 IR Inten    --     15.5652                32.2786                45.9316
 RamAct Fr= 1--    123.4909                28.4921                89.2974
  Dep-P Fr= 1--      0.5827                 0.5878                 0.6032
  Dep-U Fr= 1--      0.7363                 0.7404                 0.7525
 Alpha2 Fr= 1--      0.3868                 0.0863                 0.2423
 Beta2  Fr= 1--     15.1548                 3.5158                11.1989
 AlphaG Fr= 1--      0.3880                 0.1710                 0.6951
 Gamma2 Fr= 1--    -33.3329                 7.6028                -2.5575
 Delta2 Fr= 1--      0.6209                -2.4045                -4.3664
 Raman1 Fr= 1--     493.964                113.968                357.190
 ROA1   Fr= 1--   -3180.092                652.925               -385.249
 CID1   Fr= 1--      -6.438                  5.729                 -1.079
 Raman2 Fr= 1--     181.857                 42.190                134.386
 ROA2   Fr= 1--    -804.957                201.703                -26.449
 CID2   Fr= 1--      -4.426                  4.781                 -0.197
 Raman3 Fr= 1--     363.715                 84.380                268.773
 ROA3   Fr= 1--   -3180.092                652.925               -385.249
 CID3   Fr= 1--      -8.743                  7.738                 -1.433
 RC180  Fr= 1--       0.473                  0.481                  0.505
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.00     0.03  -0.08  -0.02    -0.00   0.01   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01  -0.01  -0.08    -0.00  -0.00  -0.01    -0.01   0.00   0.04
    10   6    -0.01  -0.02   0.04    -0.00  -0.01   0.01    -0.03  -0.02   0.08
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   1    -0.38  -0.07   0.37    -0.03  -0.01   0.03     0.24   0.04  -0.23
    13   1     0.23   0.21   0.58     0.03   0.03   0.08    -0.10  -0.09  -0.26
    14   1     0.01  -0.00  -0.03     0.00  -0.00  -0.02     0.02  -0.01  -0.07
    15   1     0.11  -0.06  -0.15     0.03  -0.02  -0.05     0.33  -0.19  -0.46
    16   1     0.01   0.28  -0.27     0.00   0.14  -0.13     0.01   0.46  -0.44
    17   1    -0.00   0.01   0.00     0.29   0.42   0.03    -0.03  -0.05  -0.00
    18   1     0.09  -0.12  -0.07    -0.47   0.57   0.34     0.07  -0.08  -0.05
    19   1     0.11  -0.02   0.09    -0.13   0.01  -0.11     0.02  -0.00   0.01
    20   1    -0.05  -0.04   0.14     0.01   0.01  -0.04     0.02   0.01  -0.05
    21   1    -0.04  -0.06  -0.01     0.02   0.03   0.01     0.01   0.01   0.00
    22   1     0.05  -0.01   0.03    -0.01   0.00  -0.00    -0.01   0.00  -0.01
    23   1     0.00   0.01   0.00    -0.00  -0.03  -0.01     0.00   0.00   0.00
    24   1     0.00   0.01   0.00    -0.00   0.00   0.00     0.00   0.04   0.01
    25   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    27   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3132.4104              3145.4259              3162.4221
 Red. masses --      1.0876                 1.1009                 1.0885
 Frc consts  --      6.2873                 6.4172                 6.4137
 IR Inten    --      2.4319                13.2164                 9.7929
 RamAct Fr= 1--     63.1516               100.0628                33.8833
  Dep-P Fr= 1--      0.1874                 0.5527                 0.2664
  Dep-U Fr= 1--      0.3156                 0.7119                 0.4207
 Alpha2 Fr= 1--      0.8866                 0.3768                 0.3834
 Beta2  Fr= 1--      3.3219                11.8725                 2.3757
 AlphaG Fr= 1--      0.5196                 0.2238                -0.4564
 Gamma2 Fr= 1--     -0.4847                 3.4110                 1.0773
 Delta2 Fr= 1--     -0.1145                 2.3341                 2.6106
 Raman1 Fr= 1--     252.606                400.251                135.533
 ROA1   Fr= 1--     -50.197                402.145                186.957
 CID1   Fr= 1--      -0.199                  1.005                  1.379
 Raman2 Fr= 1--      39.863                142.470                 28.508
 ROA2   Fr= 1--     -10.717                 63.191                  4.970
 CID2   Fr= 1--      -0.269                  0.444                  0.174
 Raman3 Fr= 1--      79.725                284.939                 57.016
 ROA3   Fr= 1--     -50.197                402.145                186.957
 CID3   Fr= 1--      -0.630                  1.411                  3.279
 RC180  Fr= 1--      -0.369                  0.424                 -0.159
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.01  -0.08  -0.02     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     5   6    -0.00   0.01   0.00     0.00   0.00   0.00    -0.00  -0.08  -0.02
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00    -0.07  -0.06  -0.00    -0.00  -0.00  -0.00
    12   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1    -0.01   0.00   0.04    -0.00  -0.00   0.00     0.00   0.00  -0.00
    15   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00    -0.03   0.02   0.04
    16   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    17   1     0.02   0.03   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   1    -0.01   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   1     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    20   1     0.00   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.01   0.02   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23   1     0.12   0.95   0.24     0.00   0.01   0.00     0.01   0.09   0.02
    24   1    -0.01  -0.08  -0.02    -0.00  -0.05  -0.01     0.06   0.96   0.25
    25   1     0.00  -0.00   0.00    -0.04   0.19  -0.16    -0.00   0.02  -0.02
    26   1    -0.00  -0.00  -0.00     0.05   0.08   0.23     0.00   0.01   0.02
    27   1    -0.01  -0.01   0.00     0.79   0.49  -0.05     0.03   0.02  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   808.577473413.420373717.07857
           X            0.99972  -0.02293  -0.00628
           Y            0.02295   0.99973   0.00378
           Z            0.00619  -0.00392   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10712     0.02537     0.02330
 Rotational constants (GHZ):           2.23200     0.52872     0.48553
 Zero-point vibrational energy     621400.4 (Joules/Mol)
                                  148.51826 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     49.36   103.22   120.24   165.64   195.56
          (Kelvin)            231.06   308.76   348.55   364.88   387.10
                              406.13   508.63   535.01   579.39   691.22
                              778.35   834.87   857.16   917.53  1068.50
                             1128.72  1242.56  1259.52  1289.75  1319.93
                             1364.47  1381.83  1393.05  1410.66  1443.29
                             1452.82  1474.15  1510.44  1568.23  1663.48
                             1686.87  1705.56  1724.08  1762.32  1792.37
                             1823.78  1845.84  1886.41  1906.89  1931.30
                             1983.24  1994.10  2024.11  2048.61  2107.53
                             2121.23  2133.00  2135.77  2149.03  2160.99
                             2165.75  2170.10  2409.91  2537.00  4336.08
                             4343.25  4358.55  4358.90  4390.36  4411.70
                             4426.08  4433.40  4438.83  4443.21  4453.07
                             4456.65  4482.21  4506.84  4525.57  4550.02
 
 Zero-point correction=                           0.236679 (Hartree/Particle)
 Thermal correction to Energy=                    0.249236
 Thermal correction to Enthalpy=                  0.250180
 Thermal correction to Gibbs Free Energy=         0.197628
 Sum of electronic and zero-point Energies=           -465.874871
 Sum of electronic and thermal Energies=              -465.862314
 Sum of electronic and thermal Enthalpies=            -465.861370
 Sum of electronic and thermal Free Energies=         -465.913922
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.398             46.454            110.604
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.707
 Vibrational            154.620             40.493             38.929
 Vibration     1          0.594              1.983              5.563
 Vibration     2          0.598              1.967              4.105
 Vibration     3          0.600              1.960              3.805
 Vibration     4          0.608              1.937              3.181
 Vibration     5          0.614              1.917              2.860
 Vibration     6          0.622              1.891              2.543
 Vibration     7          0.645              1.819              2.004
 Vibration     8          0.658              1.776              1.786
 Vibration     9          0.665              1.757              1.705
 Vibration    10          0.673              1.730              1.602
 Vibration    11          0.681              1.706              1.520
 Vibration    12          0.730              1.568              1.150
 Vibration    13          0.744              1.530              1.072
 Vibration    14          0.768              1.464              0.953
 Vibration    15          0.837              1.293              0.709
 Vibration    16          0.896              1.159              0.563
 Vibration    17          0.937              1.074              0.485
 Vibration    18          0.954              1.041              0.457
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.125162D-90        -90.902527       -209.310803
 Total V=0       0.916473D+18         17.962120         41.359309
 Vib (Bot)       0.148026-104       -104.829663       -241.379219
 Vib (Bot)    1  0.603301D+01          0.780534          1.797247
 Vib (Bot)    2  0.287398D+01          0.458483          1.055697
 Vib (Bot)    3  0.246287D+01          0.391442          0.901329
 Vib (Bot)    4  0.177706D+01          0.249703          0.574962
 Vib (Bot)    5  0.149757D+01          0.175386          0.403842
 Vib (Bot)    6  0.125865D+01          0.099905          0.230039
 Vib (Bot)    7  0.923789D+00         -0.034427         -0.079271
 Vib (Bot)    8  0.808556D+00         -0.092290         -0.212505
 Vib (Bot)    9  0.768265D+00         -0.114489         -0.263621
 Vib (Bot)   10  0.718670D+00         -0.143471         -0.330353
 Vib (Bot)   11  0.680291D+00         -0.167305         -0.385235
 Vib (Bot)   12  0.520699D+00         -0.283413         -0.652582
 Vib (Bot)   13  0.488988D+00         -0.310702         -0.715417
 Vib (Bot)   14  0.441734D+00         -0.354840         -0.817048
 Vib (Bot)   15  0.348000D+00         -0.458421         -1.055553
 Vib (Bot)   16  0.292593D+00         -0.533737         -1.228974
 Vib (Bot)   17  0.262537D+00         -0.580809         -1.337362
 Vib (Bot)   18  0.251730D+00         -0.599064         -1.379397
 Vib (V=0)       0.108389D+05          4.034983          9.290893
 Vib (V=0)    1  0.655370D+01          0.816486          1.880030
 Vib (V=0)    2  0.341715D+01          0.533664          1.228806
 Vib (V=0)    3  0.301311D+01          0.479016          1.102974
 Vib (V=0)    4  0.234606D+01          0.370340          0.852739
 Vib (V=0)    5  0.207883D+01          0.317819          0.731806
 Vib (V=0)    6  0.185433D+01          0.268186          0.617521
 Vib (V=0)    7  0.155042D+01          0.190450          0.438527
 Vib (V=0)    8  0.145066D+01          0.161567          0.372022
 Vib (V=0)    9  0.141664D+01          0.151260          0.348289
 Vib (V=0)   10  0.137549D+01          0.138458          0.318811
 Vib (V=0)   11  0.134427D+01          0.128487          0.295853
 Vib (V=0)   12  0.122189D+01          0.087033          0.200400
 Vib (V=0)   13  0.119936D+01          0.078951          0.181791
 Vib (V=0)   14  0.116718D+01          0.067138          0.154590
 Vib (V=0)   15  0.110918D+01          0.045003          0.103624
 Vib (V=0)   16  0.107932D+01          0.033150          0.076330
 Vib (V=0)   17  0.106474D+01          0.027242          0.062726
 Vib (V=0)   18  0.105979D+01          0.025221          0.058074
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.114657D+07          6.059402         13.952289
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001894   -0.000000058    0.000000503
      2        6          -0.000002077   -0.000001999   -0.000006228
      3        6           0.000000384    0.000000065    0.000007651
      4        6           0.000000217   -0.000000087   -0.000001656
      5        6          -0.000000359    0.000000185    0.000000581
      6        6          -0.000000498    0.000000281   -0.000001469
      7        8           0.000000459    0.000002700   -0.000003676
      8        6           0.000001214   -0.000000493    0.000001271
      9        6           0.000006648    0.000001630    0.000002585
     10        6          -0.000003629   -0.000000788   -0.000000086
     11        6           0.000001856    0.000001215    0.000002280
     12        1          -0.000000147   -0.000001215    0.000002219
     13        1          -0.000002750   -0.000002514    0.000001507
     14        1           0.000001361    0.000002209   -0.000000889
     15        1           0.000001162   -0.000000593    0.000001729
     16        1           0.000001157   -0.000000197    0.000002066
     17        1          -0.000001205   -0.000000979   -0.000001196
     18        1          -0.000001429   -0.000000967    0.000000216
     19        1          -0.000001986   -0.000002231    0.000000728
     20        1          -0.000000155    0.000000606    0.000000203
     21        1          -0.000000370    0.000000496   -0.000000952
     22        1          -0.000001759   -0.000000350    0.000000024
     23        1           0.000000247    0.000001157   -0.000001267
     24        1           0.000000399    0.000000245   -0.000000096
     25        1           0.000000073   -0.000000007   -0.000001950
     26        1          -0.000000581    0.000000580   -0.000002111
     27        1          -0.000000127    0.000001109   -0.000001985
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000007651 RMS     0.000001912
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.175948D+03 -0.328410D+01 -0.594138D+01
      2  -0.328410D+01  0.122700D+03  0.235681D+01
      3  -0.594138D+01  0.235681D+01  0.104346D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.114454D+01  0.517210D+01 -0.770269D+01
      2   0.411982D+02 -0.113285D+02  0.319397D+02
      3   0.241530D+02 -0.131661D+02  0.132753D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.782239D+02 -0.135180D+02  0.235308D+02
      2   0.210428D+02  0.194795D+02 -0.351022D+02
      3   0.571811D+02 -0.596143D+01  0.115714D+02
      4   0.763552D+01  0.249952D+02 -0.242583D+02
      5   0.332256D+02 -0.259385D+02  0.814596D+02
      6  -0.365708D+01 -0.390489D+01  0.137883D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.413873D+01  0.126900D+01 -0.444563D+01  0.612879D-01  0.382541D+01
      2   0.126900D+01  0.381987D+01  0.233872D+01  0.382541D+01  0.247067D+01
      3  -0.444563D+01  0.233872D+01 -0.377742D+01  0.239939D+01 -0.189665D+01
                 6             7             8             9            10 
      1   0.239939D+01 -0.336214D+01  0.289361D+01 -0.353131D+01  0.291825D+02
      2  -0.189665D+01  0.289361D+01 -0.890350D+00 -0.102456D+01 -0.223838D+01
      3  -0.196960D+01 -0.353131D+01 -0.102456D+01  0.919881D+00  0.422084D+01
                11            12            13            14            15 
      1  -0.223838D+01  0.422084D+01 -0.141872D+02 -0.271732D+01 -0.337525D+01
      2  -0.278945D+01 -0.235372D+01 -0.271732D+01 -0.483729D+01  0.110395D+01
      3  -0.235372D+01  0.400684D+01 -0.337525D+01  0.110395D+01  0.126278D+01
                16            17            18            19            20 
      1   0.180925D+02 -0.339592D+01  0.654002D+01 -0.446872D+02  0.205471D+01
      2  -0.339592D+01  0.263166D+01  0.765938D+00  0.205471D+01 -0.291085D+01
      3   0.654002D+01  0.765938D+00 -0.291851D+01 -0.153022D+00  0.118615D+01
                21            22            23            24            25 
      1  -0.153022D+00  0.127977D+02 -0.184455D+01  0.262313D+01 -0.752427D+01
      2   0.118615D+01 -0.184455D+01 -0.186833D+01 -0.162970D+01  0.247465D+01
      3  -0.333165D+01  0.262313D+01 -0.162970D+01  0.232106D+01 -0.734418D+01
                26            27            28            29            30 
      1   0.247465D+01 -0.734418D+01  0.596821D+02  0.240268D+00 -0.326161D+01
      2  -0.286099D+01  0.152239D+01  0.240268D+00  0.186693D+01 -0.792313D+00
      3   0.152239D+01  0.536011D+01 -0.326161D+01 -0.792313D+00  0.236519D+01
                31            32            33            34            35 
      1  -0.138636D+02  0.182001D+01  0.418088D-02 -0.152826D+02 -0.166998D+01
      2   0.182001D+01  0.247720D+01  0.147335D+01 -0.166998D+01  0.934166D+00
      3   0.418088D-02  0.147335D+01 -0.143673D+01  0.619360D+01 -0.108877D+00
                36            37            38            39            40 
      1   0.619360D+01 -0.521234D+02 -0.291082D+01  0.302454D+01  0.140428D+02
      2  -0.108877D+00 -0.291082D+01 -0.108475D+01  0.883633D+00 -0.381056D+01
      3  -0.426112D+01  0.302454D+01  0.883633D+00 -0.159985D+01 -0.821276D+00
                41            42            43            44            45 
      1  -0.381056D+01 -0.821276D+00  0.163764D+02  0.128055D+01 -0.471119D+01
      2  -0.208214D+01 -0.142178D+01  0.128055D+01 -0.135708D+01  0.731033D+00
      3  -0.142178D+01  0.233724D+01 -0.471119D+01  0.731033D+00  0.218709D+01
                46            47            48            49            50 
      1   0.181514D+02  0.228065D+01 -0.152462D+01  0.254126D+02  0.981984D+01
      2   0.228065D+01  0.229209D+00  0.670721D+00  0.981984D+01  0.599031D+01
      3  -0.152462D+01  0.670721D+00 -0.726422D+00  0.708769D+00  0.236810D+00
                51            52            53            54            55 
      1   0.708769D+00  0.304323D+01  0.272691D+01 -0.114015D+01 -0.679885D+01
      2   0.236810D+00  0.272691D+01  0.967036D+00  0.561600D+00 -0.310046D+01
      3  -0.660919D+00 -0.114015D+01  0.561600D+00  0.735734D+00 -0.437130D+00
                56            57            58            59            60 
      1  -0.310046D+01 -0.437130D+00 -0.280807D+02 -0.111901D+02  0.278400D+00
      2  -0.174709D+01 -0.694593D+00 -0.111901D+02 -0.111892D+02 -0.582207D+00
      3  -0.694593D+00 -0.402033D+00  0.278400D+00 -0.582207D+00 -0.122654D+01
                61            62            63            64            65 
      1  -0.678361D+01 -0.250330D+01 -0.178261D+01 -0.758072D+01  0.221715D+01
      2  -0.250330D+01 -0.100140D+01 -0.288839D+01  0.221715D+01  0.345650D+01
      3  -0.178261D+01 -0.288839D+01 -0.132525D+01 -0.260766D+01  0.290971D+01
                66            67            68            69            70 
      1  -0.260766D+01  0.183487D+01  0.234570D+01  0.317184D+01 -0.551332D+01
      2   0.290971D+01  0.234570D+01  0.391937D+01 -0.167093D+00  0.320179D+01
      3  -0.291574D+01  0.317184D+01 -0.167093D+00 -0.207578D+01 -0.430162D+01
                71            72            73            74            75 
      1   0.320179D+01 -0.430162D+01 -0.325568D+01 -0.281552D+01  0.163824D+01
      2  -0.103151D+01 -0.757069D+00 -0.281552D+01  0.245882D+01 -0.848001D+00
      3  -0.757069D+00  0.460562D+01  0.163824D+01 -0.848001D+00 -0.291055D+01
                76            77            78            79            80 
      1  -0.375653D+01  0.232596D+01 -0.181270D+01 -0.144637D+01 -0.153226D+01
      2   0.232596D+01  0.635336D+01 -0.414632D+00 -0.153226D+01 -0.923124D+00
      3  -0.181270D+01 -0.414632D+00 -0.162478D+01 -0.545823D+01 -0.265061D+01
                81            82            83            84            85 
      1  -0.545823D+01 -0.423458D+01  0.193709D+01 -0.253474D+01  0.311477D+01
      2  -0.265061D+01  0.193709D+01  0.189621D+01  0.171893D+01  0.263256D+01
      3  -0.170466D+01 -0.253474D+01  0.171893D+01  0.851649D+00  0.132957D+01
                86            87            88            89            90 
      1   0.263256D+01  0.132957D+01 -0.278613D+01  0.177788D+01  0.138319D+01
      2  -0.158581D+01  0.329050D+01  0.177788D+01  0.452120D+01 -0.271559D+01
      3   0.329050D+01 -0.205492D+01  0.138319D+01 -0.271559D+01 -0.467619D+00
                91            92            93            94            95 
      1   0.241935D+01  0.525024D+01  0.102693D+01  0.832172D+01  0.294116D+01
      2   0.525024D+01  0.343662D+00 -0.184927D+01  0.294116D+01 -0.413101D+01
      3   0.102693D+01 -0.184927D+01 -0.149159D+01 -0.178863D+01  0.856897D+00
                96            97            98            99           100 
      1  -0.178863D+01  0.180734D+01 -0.188217D+01  0.184955D+00  0.656316D+01
      2   0.856897D+00 -0.188217D+01  0.147491D+01 -0.386440D+01  0.197057D+01
      3  -0.322478D+01  0.184955D+00 -0.386440D+01 -0.340616D+01 -0.274658D+01
               101           102           103           104           105 
      1   0.197057D+01 -0.274658D+01  0.476029D+00  0.100409D+01 -0.291466D+00
      2   0.145378D+01 -0.619558D+00  0.100409D+01  0.446131D+00 -0.557314D+00
      3  -0.619558D+00  0.219408D+01 -0.291466D+00 -0.557314D+00  0.456754D+00
               106           107           108           109           110 
      1  -0.514692D+01 -0.104288D+01  0.309935D+01  0.247405D+01  0.159093D+01
      2  -0.104288D+01 -0.149543D+01  0.122449D+01  0.159093D+01  0.799525D+00
      3   0.309935D+01  0.122449D+01 -0.264658D+01  0.177172D+01  0.872617D+00
               111           112           113           114           115 
      1   0.177172D+01  0.506871D+00  0.140284D+01  0.102883D+01  0.489361D+01
      2   0.872617D+00  0.140284D+01  0.148174D+01  0.141881D+01  0.222766D+01
      3   0.190277D+01  0.102883D+01  0.141881D+01  0.141242D+01  0.428913D+01
               116           117           118           119           120 
      1   0.222766D+01  0.428913D+01  0.723447D+01 -0.606963D+00 -0.191846D+01
      2   0.257800D+01  0.244749D+01 -0.606963D+00  0.473501D+00 -0.330328D-01
      3   0.244749D+01  0.555895D+01 -0.191846D+01 -0.330328D-01  0.203461D+01
               121           122           123           124           125 
      1  -0.509344D+01  0.834177D+00  0.474972D-01 -0.336598D+01 -0.259565D+00
      2   0.834177D+00 -0.486854D-01 -0.968498D+00 -0.259565D+00 -0.120529D+01
      3   0.474972D-01 -0.968498D+00 -0.106644D+01  0.402806D+01 -0.782908D+00
               126           127           128           129           130 
      1   0.402806D+01 -0.206707D+01  0.353180D+00  0.108737D+01  0.289883D+00
      2  -0.782908D+00  0.353180D+00 -0.167003D+01 -0.846992D+00 -0.961546D+00
      3  -0.877688D+01  0.108737D+01 -0.846992D+00 -0.137228D+01 -0.572558D+00
               131           132           133           134           135 
      1  -0.961546D+00 -0.572558D+00  0.181483D+01 -0.803730D+00 -0.105273D+01
      2   0.208274D+01  0.791931D+00 -0.803730D+00  0.190882D+01  0.173515D+01
      3   0.791931D+00  0.106586D+01 -0.105273D+01  0.173515D+01  0.288599D+01
               136           137           138           139           140 
      1   0.964521D+00  0.109127D+01 -0.373584D+00  0.657013D-01  0.202678D+00
      2   0.109127D+01  0.683951D-01 -0.136528D+00  0.202678D+00  0.751833D+01
      3  -0.373584D+00 -0.136528D+00 -0.513727D-01 -0.150079D+00 -0.349538D+01
               141           142           143           144           145 
      1  -0.150079D+00 -0.975244D+00 -0.307186D+00 -0.221181D+00 -0.171821D+01
      2  -0.349538D+01 -0.307186D+00 -0.517194D+01  0.363262D+01 -0.169795D+01
      3   0.235748D+01 -0.221181D+00  0.363262D+01 -0.327853D+01  0.607176D+00
               146           147           148           149           150 
      1  -0.169795D+01  0.607176D+00 -0.134960D+01 -0.212979D+01  0.175729D+00
      2  -0.274857D+01  0.510177D+00 -0.212979D+01 -0.592465D+01  0.151961D+01
      3   0.510177D+00 -0.706870D+00  0.175729D+00  0.151961D+01 -0.151435D+01
               151           152           153           154           155 
      1  -0.305249D+00 -0.108719D+00 -0.197733D+00 -0.204908D+01  0.974789D+00
      2  -0.108719D+00  0.131989D-01 -0.582780D+00  0.974789D+00 -0.155976D+01
      3  -0.197733D+00 -0.582780D+00  0.297232D+00  0.143639D+01 -0.752707D+00
               156           157           158           159           160 
      1   0.143639D+01  0.140785D+01 -0.146575D+01 -0.977441D+00  0.977299D+00
      2  -0.752707D+00 -0.146575D+01  0.216108D+01  0.125255D+01 -0.779025D+00
      3  -0.162967D+01 -0.977441D+00  0.125255D+01  0.257044D+01 -0.864676D+00
               161           162           163           164           165 
      1  -0.779025D+00 -0.864676D+00  0.572736D+01 -0.151409D+01  0.402446D+01
      2   0.108614D+01  0.117334D+01 -0.151409D+01  0.115048D+01 -0.148401D+01
      3   0.117334D+01  0.254248D+01  0.402446D+01 -0.148401D+01  0.453448D+01
               166           167           168           169           170 
      1  -0.381928D+00  0.724871D+00 -0.752589D+00  0.220342D+01 -0.109391D+01
      2   0.724871D+00 -0.115715D+01  0.128045D+01 -0.109391D+01  0.975486D+00
      3  -0.752589D+00  0.128045D+01 -0.697893D+00  0.326071D+01 -0.125385D+01
               171           172           173           174           175 
      1   0.326071D+01  0.253246D+01 -0.194451D+00 -0.168905D+01  0.112720D+01
      2  -0.125385D+01 -0.194451D+00  0.783564D-01 -0.255543D+00 -0.459279D-02
      3   0.469165D+01 -0.168905D+01 -0.255543D+00  0.219591D+01 -0.955559D+00
               176           177           178           179           180 
      1  -0.459279D-02 -0.955559D+00 -0.247566D+01  0.126857D+00  0.343079D+01
      2   0.374289D+00 -0.812760D+00  0.126857D+00 -0.135259D+01 -0.117651D-01
      3  -0.812760D+00  0.164649D+01  0.343079D+01 -0.117651D-01 -0.699783D+01
               181           182           183           184           185 
      1  -0.835375D+00 -0.112950D+01  0.733738D-01 -0.153669D+01 -0.529541D+00
      2  -0.112950D+01 -0.359800D+01 -0.847837D+00 -0.529541D+00 -0.821030D+01
      3   0.733738D-01 -0.847837D+00 -0.593528D+00 -0.194438D+00 -0.133638D+01
               186           187           188           189           190 
      1  -0.194438D+00  0.473069D+00 -0.441944D+00  0.234427D+00  0.859342D+01
      2  -0.133638D+01 -0.441944D+00 -0.739325D+00 -0.110855D+01 -0.342684D+01
      3  -0.109691D+01  0.234427D+00 -0.110855D+01 -0.910654D+00  0.216955D+01
               191           192           193           194           195 
      1  -0.342684D+01  0.216955D+01 -0.138962D+01  0.178059D+01 -0.768257D+00
      2   0.184664D+01 -0.877033D+00  0.178059D+01 -0.191312D+01  0.559184D+00
      3  -0.877033D+00  0.191032D+01 -0.768257D+00  0.559184D+00 -0.275628D+00
               196           197           198           199           200 
      1   0.566366D+01 -0.227695D+01  0.251428D+01  0.543689D+00 -0.898418D+00
      2  -0.227695D+01  0.192972D+01 -0.865290D+00 -0.898418D+00 -0.298870D+00
      3   0.251428D+01 -0.865290D+00  0.163692D+01 -0.532821D+00 -0.108743D+00
               201           202           203           204           205 
      1  -0.532821D+00 -0.195185D+01 -0.662658D-01  0.310126D+00 -0.198322D+01
      2  -0.108743D+00 -0.662658D-01 -0.580212D+01 -0.172587D+01  0.424522D+00
      3  -0.275393D-01  0.310126D+00 -0.172587D+01 -0.148274D+01 -0.783392D+00
               206           207           208           209           210 
      1   0.424522D+00 -0.783392D+00 -0.908715D+00  0.132613D+01  0.579241D+00
      2  -0.132278D+01 -0.120531D+01  0.132613D+01  0.112012D+00 -0.150385D+00
      3  -0.120531D+01 -0.789855D+00  0.579241D+00 -0.150385D+00 -0.193292D+00
               211           212           213           214           215 
      1   0.217101D+01 -0.224968D+00 -0.286273D+00  0.769255D+00 -0.437388D+00
      2  -0.224968D+00  0.586318D+01  0.111971D+01 -0.437388D+00  0.137115D+01
      3  -0.286273D+00  0.111971D+01  0.814743D+00  0.349737D+00  0.628833D+00
               216           217           218           219           220 
      1   0.349737D+00 -0.298192D+01  0.522459D+00 -0.744746D+00  0.365853D+01
      2   0.628833D+00  0.522459D+00 -0.672160D+00  0.587989D+00 -0.330448D+01
      3   0.166240D+00 -0.744746D+00  0.587989D+00 -0.260308D+00  0.368020D+00
               221           222           223           224           225 
      1  -0.330448D+01  0.368020D+00 -0.268873D+01  0.183530D+01 -0.123096D+01
      2   0.628746D+01 -0.178535D+01  0.183530D+01 -0.318800D+01  0.241055D+01
      3  -0.178535D+01  0.238463D+01 -0.123096D+01  0.241055D+01 -0.191038D+01
               226           227           228           229           230 
      1  -0.886500D+00 -0.455603D+00  0.528319D+00  0.146830D+01 -0.137812D+01
      2  -0.455603D+00  0.569666D+00  0.675875D+00 -0.137812D+01  0.268863D+01
      3   0.528319D+00  0.675875D+00  0.109287D+01 -0.380119D+00  0.176795D+01
               231           232           233           234           235 
      1  -0.380119D+00  0.334853D+01 -0.723765D+00 -0.162258D+01 -0.980245D+01
      2   0.176795D+01 -0.723765D+00  0.220331D+01  0.301684D+01 -0.208942D+01
      3   0.238785D+01 -0.162258D+01  0.301684D+01  0.720382D+01  0.781517D+00
               236           237           238           239           240 
      1  -0.208942D+01  0.781517D+00 -0.516595D+01 -0.203229D+01  0.681169D+00
      2  -0.154404D+01  0.295750D+00 -0.203229D+01 -0.136463D+01  0.121927D+00
      3   0.295750D+00 -0.109860D+01  0.681169D+00  0.121927D+00 -0.609733D+00
               241           242           243 
      1   0.176277D+00  0.288948D+00 -0.126570D+01
      2   0.288948D+00 -0.549826D-01 -0.303415D-01
      3  -0.126570D+01 -0.303415D-01  0.602323D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.289943D+01  0.116327D+02  0.171043D+01  0.115483D+02  0.427008D+01
      2  -0.890640D+01  0.330963D+00  0.519585D+01  0.290914D+01 -0.122845D+02
      3  -0.113091D+01 -0.106299D+02  0.117676D+01 -0.578631D+01 -0.902204D+01
                 6             7             8             9            10 
      1  -0.867155D+01  0.257055D+01 -0.176435D+01 -0.358647D+01  0.702268D+01
      2  -0.851718D+01 -0.262436D+01 -0.667232D+01  0.760459D+01  0.333462D+02
      3   0.936669D-01 -0.213956D+01 -0.956461D+00  0.475193D+01  0.446812D+01
                11            12            13            14            15 
      1  -0.550111D+01  0.238954D+01 -0.196050D+01 -0.392132D+00 -0.329803D+01
      2  -0.722493D+01  0.137589D+02 -0.213710D+02  0.557017D+01  0.294038D+01
      3   0.656902D+01  0.267148D+01  0.103842D+02  0.165073D+02 -0.141394D+01
                16            17            18            19            20 
      1   0.145729D+01  0.595600D+01 -0.141347D+01 -0.896099D+01  0.341771D+01
      2   0.202140D+02  0.272128D+01 -0.394186D+01 -0.326070D+02  0.381227D+01
      3   0.541131D+01 -0.790207D+00 -0.433406D+01 -0.668107D+01 -0.378403D+01
                21            22            23            24            25 
      1  -0.286048D+01  0.160748D+01  0.646603D+01 -0.120102D+01 -0.296914D+01
      2   0.355423D+00  0.165948D+02 -0.363825D+01  0.514919D+01 -0.227168D+02
      3   0.516242D+00  0.101059D+02 -0.140569D+01  0.125000D+01  0.126515D+01
                26            27            28            29            30 
      1   0.399847D+01 -0.335237D+01  0.695416D+01 -0.834371D+00  0.135252D+01
      2   0.346895D+01 -0.373669D+01  0.346006D+02  0.791391D+00 -0.809597D+01
      3   0.176393D+01 -0.158217D+01  0.142155D+02  0.408535D+01 -0.269016D+01
                31            32            33            34            35 
      1   0.241178D+01 -0.341288D+01 -0.365121D+00 -0.307349D+01  0.268732D+01
      2  -0.831263D+01  0.105396D+01  0.773548D+00 -0.433086D+02 -0.687420D+00
      3   0.119035D+02  0.145230D+01 -0.191792D+00 -0.826792D+01 -0.233676D+01
                36            37            38            39            40 
      1   0.301696D+01 -0.123911D+01  0.968460D-01  0.866303D-01  0.284491D+01
      2   0.822902D+01 -0.336195D+02 -0.260348D+01  0.114544D+02  0.781630D+01
      3   0.179640D+01 -0.220350D+02 -0.130099D+02  0.246985D+01  0.116701D+02
                41            42            43            44            45 
      1  -0.742712D+00 -0.188307D+00  0.989873D+01  0.523722D+01 -0.127045D+01
      2  -0.289372D+00 -0.124562D+01  0.200008D+02 -0.128174D+01 -0.866943D+01
      3  -0.441499D+01 -0.338197D+01  0.802101D+01 -0.510567D+00 -0.405726D+00
                46            47            48            49            50 
      1  -0.194220D+01  0.303399D+01 -0.204526D+01  0.268806D+01 -0.191023D+01
      2   0.696230D+01  0.384871D+01 -0.132415D+02  0.132682D+02  0.227232D+01
      3   0.948351D+00  0.742813D+01 -0.373104D+00  0.438103D+02  0.269402D+02
                51            52            53            54            55 
      1   0.412256D+01  0.499196D+01  0.809039D+01  0.357279D+01  0.262280D+01
      2  -0.822388D+01 -0.247211D+02  0.165323D+00  0.414487D+01 -0.132960D+01
      3  -0.177835D+01  0.132676D+01  0.325328D+01  0.156045D+01 -0.122015D+01
                56            57            58            59            60 
      1  -0.609113D+00  0.196498D-01 -0.268676D+00  0.408697D+00 -0.940202D+01
      2   0.288235D+00  0.799726D+01 -0.131757D+02 -0.195998D+01  0.123989D+02
      3  -0.105293D+02 -0.214198D+01 -0.258934D+02 -0.429581D+02 -0.166952D+01
                61            62            63            64            65 
      1  -0.441697D-01  0.931707D+00 -0.227936D+01 -0.560850D+01  0.412393D+01
      2   0.539122D+01  0.669143D+01  0.287563D+01 -0.116472D+02  0.115161D+02
      3  -0.500479D+01 -0.500398D+01 -0.796585D+01  0.232919D+01 -0.192059D+02
                66            67            68            69            70 
      1  -0.793413D+01  0.363416D+01 -0.323554D+01 -0.453972D+01 -0.117231D+02
      2  -0.974736D+01  0.101077D+02  0.584818D+00 -0.418231D+01 -0.193067D+02
      3  -0.631719D+01 -0.565992D+01 -0.215935D+02 -0.495892D+01 -0.465247D+01
                71            72            73            74            75 
      1   0.180091D+01  0.927216D+01 -0.364550D+01  0.349881D+01  0.407440D+01
      2   0.371304D+00  0.128095D+02  0.148586D+01 -0.158814D+01 -0.935761D+01
      3  -0.436448D+01  0.958733D+01  0.880235D+01 -0.173816D+02  0.796804D+01
                76            77            78            79            80 
      1   0.122853D+01  0.365761D+01  0.823178D+00  0.929958D+01  0.671477D+01
      2  -0.507604D+01 -0.235537D+01 -0.604559D+01 -0.245112D+02 -0.996885D+01
      3  -0.707320D+01 -0.172948D+02  0.129594D+00  0.790272D+01 -0.126189D+01
                81            82            83            84            85 
      1   0.209709D+01  0.538623D+01 -0.664633D+01 -0.263883D+01 -0.964103D+01
      2  -0.648986D+01 -0.595881D+01  0.247822D+01  0.223974D+01  0.658873D+01
      3   0.251272D+01 -0.114366D+02 -0.338666D+00 -0.935671D+01  0.793670D+01
                86            87            88            89            90 
      1  -0.108778D+02  0.930507D+00 -0.188403D+01  0.899914D+01  0.137649D+01
      2   0.440122D+01 -0.100541D+01 -0.256188D+01 -0.379628D+00 -0.237880D+00
      3   0.683216D+01  0.498902D+00 -0.124416D+02  0.156766D+00  0.707502D+01
                91            92            93            94            95 
      1   0.567992D+00  0.160804D+01  0.254488D+01  0.500721D+01 -0.387265D+01
      2  -0.627130D+01  0.645502D+01  0.124821D+02  0.846429D+01 -0.550985D+01
      3   0.218578D+02  0.136854D+01 -0.678911D+01  0.208995D+02 -0.154873D+02
                96            97            98            99           100 
      1   0.133301D+01 -0.788085D+01  0.929844D+01  0.224759D+01  0.385922D+01
      2   0.132000D+02 -0.133621D+02  0.222495D+02  0.169417D+02 -0.868896D+01
      3   0.194840D+01 -0.685968D+01  0.583911D+01 -0.172856D+02  0.377600D+01
               101           102           103           104           105 
      1  -0.233762D+00 -0.369671D+01  0.737718D+00  0.565545D+00 -0.164682D+01
      2  -0.165394D+01  0.946420D+01 -0.157680D+01 -0.148753D+01  0.176292D+01
      3  -0.395117D+01 -0.194398D+01  0.184563D-01  0.422351D+00  0.124400D+01
               106           107           108           109           110 
      1  -0.395116D+01  0.225639D+00  0.414704D+01 -0.185173D+01 -0.191739D+00
      2   0.685193D+01  0.320214D+01 -0.914993D+01  0.243575D+01  0.228914D+01
      3  -0.373692D+01  0.493426D+01  0.492375D+00  0.218744D+00 -0.204726D+01
               111           112           113           114           115 
      1  -0.298052D+01 -0.162453D+01 -0.120555D+01 -0.294910D+01 -0.509769D+01
      2   0.721651D+01  0.137818D+01  0.453271D+01  0.486699D+01  0.103355D+02
      3  -0.401630D+00 -0.611728D+00 -0.286023D+01 -0.257341D+01 -0.423002D+00
               116           117           118           119           120 
      1   0.609934D+00 -0.826377D+01  0.474660D+00 -0.141953D+01 -0.329516D+00
      2   0.728273D+01  0.180473D+02  0.551274D+01 -0.107700D+01  0.142840D+01
      3  -0.700968D+01 -0.209119D+01  0.187861D+01 -0.175620D+01 -0.711720D+00
               121           122           123           124           125 
      1  -0.317358D+01 -0.325405D+00  0.368083D+00  0.110499D+01  0.423274D+01
      2  -0.529528D+01  0.580545D+00 -0.809815D+00 -0.270410D+01 -0.845539D+00
      3   0.144564D+01 -0.328920D+00  0.481732D+00 -0.899818D+00  0.160470D+01
               126           127           128           129           130 
      1   0.311524D+01 -0.308289D+01  0.197000D+01  0.432097D+01  0.170703D+01
      2  -0.418219D+01  0.273157D+01 -0.784671D+00 -0.339076D+00 -0.124632D+01
      3   0.128866D+01 -0.855346D+01  0.155043D+01  0.477198D+01  0.357561D+01
               131           132           133           134           135 
      1  -0.171529D+01 -0.372174D+01  0.326082D+01 -0.222650D+01 -0.867430D+01
      2   0.104964D+01  0.754545D+00 -0.350374D+01  0.190790D+01  0.241855D+01
      3  -0.522275D+01 -0.273572D+01  0.796622D+01 -0.434086D+01 -0.637389D+01
               136           137           138           139           140 
      1   0.123595D+00  0.656618D+00  0.403813D+00 -0.513320D+00  0.369479D+01
      2   0.419135D+00  0.184157D+00  0.572447D+00  0.868943D+00 -0.321768D+01
      3  -0.146527D+01  0.774944D+00 -0.265793D+00  0.473895D+01 -0.107876D+02
               141           142           143           144           145 
      1  -0.675182D+01  0.566982D+00 -0.405694D+01  0.709793D+01 -0.357835D+01
      2   0.219964D+01 -0.223037D+01  0.350971D+01 -0.333696D+01  0.659302D+01
      3   0.483364D+01 -0.254665D+01  0.644333D+01 -0.591627D+01  0.749927D+01
               146           147           148           149           150 
      1  -0.575742D+01 -0.127862D+01 -0.484423D+01 -0.990637D+01 -0.181291D+01
      2   0.463675D+01 -0.120674D+01  0.534975D+01  0.816677D+01 -0.171032D+01
      3   0.550253D+01 -0.128108D+01  0.856488D+01  0.114668D+02 -0.292564D+01
               151           152           153           154           155 
      1  -0.110691D+01  0.732518D+00 -0.128557D+01  0.438350D+01 -0.583548D+01
      2  -0.129112D+01 -0.687479D+00  0.840038D+00  0.989649D+01 -0.430377D+01
      3   0.123873D+01  0.460210D+00  0.143516D+01 -0.407782D+00  0.218809D+00
               156           157           158           159           160 
      1  -0.224529D+01 -0.494005D+01  0.779504D+01  0.246441D+01 -0.229550D+01
      2  -0.408710D+01 -0.664750D+01  0.623768D+01  0.570201D+01 -0.538056D+01
      3  -0.205205D+00  0.257198D+01 -0.750334D+00 -0.943307D+00  0.405877D+00
               161           162           163           164           165 
      1   0.468813D+01  0.390660D+01  0.121640D+01  0.187986D+01  0.232697D+01
      2   0.381454D+01  0.558489D+01 -0.289618D+01 -0.611902D+00  0.425083D+01
      3  -0.158835D-01 -0.985876D+00 -0.189036D+01 -0.280038D+01 -0.261479D+00
               166           167           168           169           170 
      1   0.339519D+00 -0.104924D+01  0.236698D+00  0.127294D+01  0.268669D+01
      2   0.878530D+00  0.161217D+01  0.211562D+00 -0.356653D+01 -0.151001D+00
      3   0.180014D+00  0.194387D+01 -0.143199D+01 -0.192964D+01 -0.172734D+01
               171           172           173           174           175 
      1   0.296610D+01 -0.278446D+01 -0.130919D+01  0.421286D+01 -0.985362D+00
      2   0.359108D+01 -0.332686D+01 -0.818782D+00  0.713848D+01 -0.138205D+01
      3  -0.786125D+00 -0.283456D+01 -0.104768D+01  0.347011D+01 -0.122590D+00
               176           177           178           179           180 
      1  -0.252821D+01  0.218527D+01  0.513781D+01  0.447544D+01 -0.115418D+02
      2  -0.261767D+01  0.486617D+01  0.601572D+01  0.649584D+00 -0.203721D+02
      3  -0.169664D+01  0.364105D+01  0.347734D+01  0.572850D+01 -0.520413D+01
               181           182           183           184           185 
      1   0.937381D+00  0.360760D+00 -0.167805D+01  0.372726D+00  0.242375D+01
      2  -0.975490D+00 -0.312427D+01 -0.557152D+00 -0.193538D+01 -0.468539D+01
      3   0.800242D+01  0.130186D+02  0.249428D+01  0.789305D+01  0.283556D+02
               186           187           188           189           190 
      1  -0.395647D+01  0.300261D+00  0.117523D-01 -0.139573D+01  0.568200D+01
      2  -0.279287D+01 -0.187011D+00 -0.327950D+01 -0.234039D+01  0.105966D+02
      3   0.492822D+01  0.168348D+01  0.369593D+01  0.323039D+01 -0.367650D+01
               191           192           193           194           195 
      1  -0.204884D+01  0.491107D+01 -0.233493D+01  0.172753D+01 -0.187677D+01
      2  -0.470910D+01  0.105013D+02 -0.374145D+01  0.289628D+01 -0.204452D+01
      3  -0.361983D+01 -0.722945D+00 -0.929957D+00  0.436325D+01 -0.377503D+00
               196           197           198           199           200 
      1   0.481342D+01 -0.632627D+00  0.361449D+01 -0.917704D+00  0.501744D+00
      2   0.918483D+01 -0.338863D+01  0.787808D+01  0.994242D+00 -0.636459D+00
      3  -0.347961D+00 -0.389028D+01 -0.114674D+01  0.109011D+01  0.262850D+00
               201           202           203           204           205 
      1  -0.738674D+00  0.132877D+01  0.565321D+01 -0.243412D+01 -0.596189D+01
      2   0.143843D+00 -0.243348D+01 -0.555491D+00  0.154731D+01 -0.127468D+01
      3  -0.258007D+00  0.469360D+01 -0.350361D+01  0.106765D+00  0.117169D+01
               206           207           208           209           210 
      1   0.109665D+01  0.343860D+00 -0.162607D+01  0.162414D+00  0.301484D+00
      2   0.118375D+01 -0.124070D-01 -0.410306D+01  0.159033D+00  0.841286D+00
      3  -0.141559D-01 -0.162130D+01  0.403546D+01  0.159800D+01  0.142395D+00
               211           212           213           214           215 
      1   0.174305D+01 -0.861984D+00 -0.384125D+01 -0.642719D+01  0.203784D+00
      2   0.270704D+01 -0.290010D+01 -0.222662D+01 -0.106382D+02 -0.189064D+01
      3   0.492392D+01  0.112260D+02  0.214747D+01  0.133660D+01  0.223920D+01
               216           217           218           219           220 
      1   0.211226D-01  0.107885D+00 -0.916752D+00  0.717185D+00 -0.290364D+01
      2   0.616898D+00  0.113222D+01 -0.257510D+01  0.275005D+01 -0.452051D+01
      3   0.120172D+01  0.212437D+00 -0.356161D+01  0.179494D+01 -0.923887D+01
               221           222           223           224           225 
      1   0.503482D+01 -0.465519D+01  0.306903D+01 -0.309762D+01  0.344277D+01
      2   0.104482D+02 -0.101753D+02  0.868834D+01 -0.121012D+02  0.819555D+01
      3   0.243010D+02 -0.750242D+01  0.541734D+01 -0.128690D+02  0.952677D+01
               226           227           228           229           230 
      1   0.626754D+00 -0.324738D+00 -0.113815D+01  0.102348D+00 -0.627397D-01
      2   0.300540D+00 -0.373732D+01 -0.546939D+01  0.789993D+00 -0.810429D+01
      3  -0.923636D+00  0.916975D+00  0.321658D+01 -0.305115D+01  0.970061D+01
               231           232           233           234           235 
      1  -0.250957D+01  0.199329D+01 -0.133062D+00 -0.565273D+01 -0.182832D+01
      2  -0.105844D+02  0.635611D+01 -0.143763D+02 -0.323046D+02  0.353260D+00
      3   0.702590D+01  0.839455D+00  0.874131D+01  0.117196D+02 -0.154381D+02
               236           237           238           239           240 
      1  -0.131507D+01  0.191818D+00 -0.114195D+01 -0.778232D+00 -0.814559D+00
      2  -0.161252D+00  0.648326D+01 -0.100743D+01  0.198933D+00  0.319060D+01
      3  -0.109839D+02  0.184861D+01 -0.897413D+01 -0.782938D+01  0.587897D+00
               241           242           243 
      1   0.103632D+01  0.586535D+00 -0.343433D+00
      2   0.287537D+01  0.136473D+00 -0.203614D+01
      3   0.178634D+01  0.231048D+00 -0.479600D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.736428D+01  0.601657D+01 -0.983789D+01  0.213591D+01  0.214154D+02
      2   0.731728D+01 -0.197021D+02  0.131475D+02 -0.146462D+02 -0.136097D+02
      3  -0.146816D+02  0.136855D+02 -0.330961D+01  0.125102D+02 -0.780570D+01
      4   0.791085D+01  0.827480D+01  0.135531D+02  0.110420D+02 -0.401931D+00
      5  -0.240574D+02  0.127004D+02 -0.280648D+02  0.131179D+02  0.276798D+01
      6   0.778494D+01  0.696842D+01  0.123440D+02  0.718393D+01  0.785905D+01
                 6             7             8             9            10 
      1   0.105690D+02 -0.443717D+01  0.133125D+02 -0.200116D+02 -0.440518D+01
      2   0.201459D+00  0.945219D+01 -0.231219D+01  0.112724D+02 -0.111517D+01
      3  -0.107705D+02 -0.501502D+01 -0.110004D+02  0.873918D+01  0.552035D+01
      4  -0.821558D+01  0.162846D+02 -0.630879D+01  0.315644D+01 -0.201341D+02
      5  -0.706249D+00 -0.278992D+02  0.562652D+01 -0.863674D+01  0.135265D+02
      6  -0.254708D+01  0.121526D+02 -0.249972D+01 -0.662427D+01 -0.112989D+02
                11            12            13            14            15 
      1  -0.851648D+01  0.202077D+01  0.299444D+01 -0.295417D+02 -0.112796D+02
      2   0.137128D+02 -0.223520D+01  0.121249D+00  0.145055D+02  0.268741D+01
      3  -0.519631D+01  0.214425D+00 -0.311569D+01  0.150362D+02  0.859218D+01
      4  -0.137590D+02 -0.144974D+02 -0.201876D+02 -0.225199D+02  0.620494D+01
      5  -0.131372D+02  0.176507D+02 -0.162772D+02  0.125087D+01  0.771059D+01
      6   0.930928D+01 -0.287223D+01  0.226901D+01 -0.125532D+02 -0.144409D+01
                16            17            18            19            20 
      1   0.257474D+01 -0.192149D+02  0.181369D+02  0.430896D+02  0.141789D+02
      2   0.610784D+01  0.835275D+01 -0.133122D+02 -0.177217D+02 -0.139980D+02
      3  -0.868258D+01  0.108622D+02 -0.482468D+01 -0.253679D+02 -0.180829D+00
      4  -0.244710D+02  0.157532D+02  0.202324D+01  0.285551D+02 -0.687595D+01
      5   0.272676D+02  0.273324D+01 -0.104841D+02  0.119161D+02  0.381761D+01
      6  -0.406781D+01 -0.989114D+00  0.924360D+01  0.115614D+02  0.131612D+01
                21            22            23            24            25 
      1  -0.443574D+01  0.194022D+01  0.360476D+01  0.351771D+01 -0.244293D+02
      2  -0.213044D+01 -0.280162D+01 -0.663701D+01 -0.200463D+01 -0.783077D+01
      3   0.656618D+01  0.861404D+00  0.303225D+01 -0.151308D+01  0.322600D+02
      4   0.572548D+01 -0.476146D+01 -0.159892D+01 -0.456452D+01  0.151665D+02
      5  -0.809552D+01  0.754434D+01 -0.809868D+00  0.500042D+01 -0.202287D+02
      6   0.981570D+00  0.135089D+01  0.453044D+01  0.291335D+01 -0.226317D+01
                26            27            28            29            30 
      1   0.970505D+01  0.113623D+02 -0.119768D+03 -0.443923D+01  0.816255D+01
      2  -0.788178D+01  0.143270D+02  0.476799D+02 -0.220284D+00 -0.218912D+01
      3  -0.182327D+01 -0.256893D+02  0.720878D+02  0.465952D+01 -0.597343D+01
      4  -0.122919D+02  0.323754D+01 -0.171675D+02 -0.981886D+01  0.225557D+01
      5   0.358954D+01  0.167849D+02 -0.114500D+02  0.224166D+01 -0.110694D+02
      6   0.391849D+01 -0.106113D+01 -0.905529D+01 -0.393497D+01  0.219490D+01
                31            32            33            34            35 
      1   0.417446D+02  0.450501D+01  0.251144D+01  0.413105D+02  0.790862D+01
      2  -0.193719D+02 -0.319510D+01 -0.254680D+01 -0.108325D+02 -0.515981D+01
      3  -0.223727D+02 -0.130991D+01  0.353578D-01 -0.304780D+02 -0.274881D+01
      4   0.444864D-02 -0.340944D+01 -0.170792D+01  0.349935D+01  0.624697D+01
      5  -0.288032D+01 -0.295834D+01  0.202184D+01 -0.283634D+01 -0.168534D+01
      6  -0.109113D+01 -0.972497D+01 -0.249486D+01  0.565038D+00  0.374449D+01
                36            37            38            39            40 
      1  -0.272190D+02  0.135877D+03  0.838299D+01 -0.129604D+02 -0.416289D+02
      2  -0.134882D+01 -0.485272D+02 -0.114377D+01  0.315825D+01  0.201147D+02
      3   0.285678D+02 -0.873497D+02 -0.723922D+01  0.980218D+01  0.215141D+02
      4  -0.209155D+01  0.227121D+02  0.231033D+02 -0.328083D+01  0.239349D+02
      5   0.105064D+02  0.555468D+01 -0.898432D+00  0.184975D+02  0.141577D+01
      6  -0.329358D+01  0.917413D+01  0.297482D+01 -0.419971D+01  0.212881D+01
                41            42            43            44            45 
      1   0.930198D+01  0.939219D+01 -0.373645D+02  0.105385D+01  0.356459D+01
      2  -0.845807D+01 -0.384201D+01  0.173016D+02 -0.252680D+01 -0.622988D+01
      3  -0.843903D+00 -0.555018D+01  0.200629D+02  0.147295D+01  0.266530D+01
      4   0.714454D+01  0.308006D+01 -0.938361D+01  0.602825D+00 -0.273469D+01
      5   0.566618D+01 -0.732026D+01  0.235960D+02 -0.371703D+01 -0.548854D+01
      6  -0.265781D+01  0.520118D+01 -0.106884D+02  0.474637D+01 -0.427085D+00
                46            47            48            49            50 
      1  -0.534989D+02  0.128821D+02  0.460382D+01 -0.383677D+02 -0.243475D+02
      2   0.134640D+02 -0.934913D+01 -0.619414D+01  0.868241D+00 -0.174304D+01
      3   0.400348D+02 -0.353299D+01  0.159032D+01  0.374995D+02  0.260905D+02
      4  -0.164481D+01 -0.282351D+02 -0.585731D+01 -0.776394D+02 -0.471494D+02
      5   0.659737D+01 -0.928694D+01 -0.182977D+02 -0.265135D+02 -0.600380D+01
      6  -0.114623D+02  0.307970D+01  0.327522D+01 -0.867996D+01 -0.638124D+01
                51            52            53            54            55 
      1  -0.685523D+01  0.428793D+01 -0.106095D+02 -0.225179D+01  0.334864D+02
      2   0.689725D+01 -0.560540D+01  0.176476D+00 -0.377335D+01 -0.130727D+02
      3  -0.420221D-01  0.131747D+01  0.104330D+02  0.602514D+01 -0.204137D+02
      4  -0.267056D+00 -0.244260D+02 -0.251181D+01 -0.344818D+01  0.249969D+02
      5  -0.423545D+01  0.344737D+01 -0.434049D+01  0.146135D+01  0.752044D+01
      6  -0.743492D+01  0.535524D+00  0.400500D+01 -0.457275D+01  0.280865D+01
                56            57            58            59            60 
      1   0.113015D+02  0.256523D+01  0.726142D+02  0.777981D+01 -0.293359D+01
      2  -0.209169D+01 -0.229416D+00 -0.166852D+02  0.287582D+02 -0.233305D+00
      3  -0.920982D+01 -0.233582D+01 -0.559289D+02 -0.365380D+02  0.316690D+01
      4   0.277277D+02  0.520230D+01  0.826246D+02  0.820063D+02  0.475381D+01
      5   0.639216D+01  0.133915D+02  0.126662D+02  0.110464D+02  0.158866D+02
      6   0.145190D+01  0.204760D+01  0.100982D+02  0.714646D+01  0.155436D+02
                61            62            63            64            65 
      1   0.189914D+02  0.476161D+01  0.170641D+00 -0.314949D+02  0.264613D+02
      2  -0.702715D+01 -0.134705D+01 -0.156136D+00  0.126847D+02 -0.249104D+02
      3  -0.119643D+02 -0.341456D+01 -0.145050D-01  0.188102D+02 -0.155090D+01
      4   0.177777D+02  0.796084D+01  0.205526D+02  0.234289D+02  0.105716D+02
      5   0.219164D+02  0.204234D+02  0.999303D+01 -0.173623D+02  0.182480D+02
      6   0.103497D+02  0.137928D+02  0.659242D+01  0.122824D+02 -0.150680D+02
                66            67            68            69            70 
      1  -0.124127D+02  0.166577D+02  0.320459D+02  0.209803D+02 -0.218661D+02
      2  -0.442844D+01 -0.141292D+02 -0.284329D+02 -0.135537D+02 -0.260919D+01
      3   0.168411D+02 -0.252846D+01 -0.361299D+01 -0.742665D+01  0.244753D+02
      4   0.226126D+02  0.101561D+02  0.641933D+01 -0.793205D+01  0.294797D+02
      5  -0.191193D+02  0.198089D+02 -0.587467D+01 -0.127027D+02 -0.272034D+02
      6   0.613060D+01 -0.115166D+02 -0.151928D+01  0.315971D+01  0.846389D+01
                71            72            73            74            75 
      1   0.243493D+02 -0.257845D+02 -0.373626D+00 -0.170674D+02  0.229190D+02
      2  -0.144874D+02  0.253725D+02 -0.156580D+01  0.118655D+02 -0.135582D+02
      3  -0.986191D+01  0.411986D+00  0.193943D+01  0.520186D+01 -0.936078D+01
      4  -0.134028D+02  0.136514D+01 -0.158076D+02  0.241871D+01  0.321721D+01
      5  -0.535184D+01  0.299182D+02  0.113605D+02 -0.281499D+01 -0.213001D+02
      6   0.362777D+01 -0.596654D+01  0.439611D+01 -0.786223D+01 -0.729709D+01
                76            77            78            79            80 
      1  -0.193229D+02  0.139071D+02 -0.588283D+01  0.253406D+02 -0.195308D+00
      2   0.190032D+02  0.953337D+00  0.468684D+01 -0.141956D+02  0.943702D+00
      3   0.319701D+00 -0.148605D+02  0.119599D+01 -0.111450D+02 -0.748394D+00
      4   0.983615D+01  0.386910D+02 -0.405559D+01 -0.330165D+01 -0.992886D+01
      5  -0.108202D+02  0.210851D+01 -0.132756D+02 -0.375182D+02 -0.187102D+02
      6  -0.276949D+01  0.105625D+01 -0.575422D+01 -0.153821D+02 -0.737357D+01
                81            82            83            84            85 
      1  -0.224461D+02 -0.201538D+02 -0.350622D+01 -0.150717D+02  0.666741D+00
      2   0.150002D+02  0.169182D+02  0.886919D+01  0.147500D+02  0.305352D+01
      3   0.744590D+01  0.323562D+01 -0.536297D+01  0.321761D+00 -0.372026D+01
      4  -0.239395D+02 -0.234047D+01  0.103773D+02 -0.457678D+01  0.114292D+02
      5  -0.126851D+02 -0.812833D+01  0.224917D+01  0.675818D+00  0.621788D+01
      6  -0.101663D+02 -0.109036D+02  0.613803D+01  0.333201D+01  0.374206D+01
                86            87            88            89            90 
      1   0.135133D+02 -0.696685D+01 -0.184183D+02 -0.146639D+02  0.149728D+02
      2  -0.785822D+01  0.114297D+02  0.167473D+02  0.214641D+02 -0.171531D+02
      3  -0.565506D+01 -0.446284D+01  0.167096D+01 -0.680022D+01  0.218026D+01
      4  -0.321484D+01  0.133554D+02 -0.458827D+01  0.188695D+02 -0.158296D+01
      5   0.712155D+01 -0.204709D+01  0.362175D+01 -0.444797D+01  0.470382D+00
      6   0.199312D+02 -0.141015D+02  0.455910D+01 -0.201790D+02  0.303640D+01
                91            92            93            94            95 
      1  -0.253074D+02 -0.414299D+02 -0.172087D+01 -0.597370D+02 -0.145826D+02
      2   0.148708D+02  0.222439D+02  0.305406D+01  0.321422D+02  0.444528D+01
      3   0.104366D+02  0.191860D+02 -0.133319D+01  0.275948D+02  0.101373D+02
      4  -0.489889D+02  0.495306D+01  0.160069D+02 -0.187405D+02  0.282648D+02
      5  -0.859595D+01  0.173007D+02  0.159394D+02  0.191993D+02 -0.103816D+02
      6   0.720277D+01 -0.424490D+01 -0.636855D+01 -0.462362D+01  0.631995D+01
                96            97            98            99           100 
      1   0.163696D+02 -0.133381D+02  0.174853D+02  0.147608D+02  0.516435D+02
      2  -0.752633D+00  0.996725D+00  0.240087D+01 -0.426422D+01 -0.255629D+02
      3  -0.156169D+02  0.123414D+02 -0.198862D+02 -0.104966D+02 -0.260806D+02
      4  -0.108022D+02  0.202453D+02 -0.181952D+02  0.279714D+02  0.269113D+02
      5   0.228190D+02 -0.230786D+01  0.301352D+02  0.223360D+02 -0.227449D+02
      6  -0.622571D+01  0.310130D+01 -0.107972D+02 -0.910626D+01 -0.600625D+01
               101           102           103           104           105 
      1   0.114722D+02 -0.191284D+02  0.436106D+01  0.460634D+01  0.111194D+00
      2  -0.335294D+01  0.999420D+01  0.561650D-01 -0.687772D+00 -0.162821D+01
      3  -0.811927D+01  0.913421D+01 -0.441723D+01 -0.391857D+01  0.151702D+01
      4   0.151475D+02 -0.892887D+01  0.123957D+02  0.598265D+01 -0.557089D+01
      5  -0.449525D+01  0.182283D+02 -0.220475D+01 -0.541721D+01  0.367917D+01
      6  -0.198230D+01  0.563078D+01 -0.273460D+01 -0.286028D+01  0.436698D+01
               106           107           108           109           110 
      1  -0.310380D+02 -0.406997D+01  0.163733D+02  0.203703D+02  0.864569D+01
      2   0.168650D+02 -0.505941D+00 -0.117573D+02 -0.113958D+02 -0.415420D+01
      3   0.141730D+02  0.457591D+01 -0.461599D+01 -0.897449D+01 -0.449150D+01
      4  -0.164256D+02 -0.118359D+02  0.133449D+02  0.179083D+02  0.111643D+02
      5   0.252826D+02  0.866585D+01 -0.197427D+02  0.160470D+02  0.746074D+01
      6   0.817195D+01  0.524082D+01 -0.662506D+01  0.763090D+01  0.457422D+01
               111           112           113           114           115 
      1   0.715328D+01  0.652949D+01 -0.150423D+01  0.369569D+00  0.148733D+02
      2  -0.486083D+01 -0.185281D+01  0.459751D+01  0.156414D+01 -0.113439D+02
      3  -0.229245D+01 -0.467669D+01 -0.309328D+01 -0.193371D+01 -0.352942D+01
      4   0.910600D+01  0.144600D+02  0.109768D+02  0.115554D+02  0.212650D+02
      5   0.175374D+02  0.801932D+01  0.994502D+01  0.984310D+01  0.324170D+02
      6   0.654511D+01  0.691678D+01  0.803786D+01  0.960306D+01  0.150317D+02
               116           117           118           119           120 
      1   0.163635D+01  0.697517D+01 -0.268921D+01 -0.352687D-01  0.179164D+01
      2   0.687375D+00 -0.130516D+02 -0.578605D+01  0.940363D+00  0.455229D+01
      3  -0.232373D+01  0.607644D+01  0.847525D+01 -0.905094D+00 -0.634392D+01
      4   0.200739D+02  0.212507D+02 -0.200826D+01  0.404335D+01 -0.365693D+00
      5   0.169771D+02  0.378563D+02 -0.103574D+02  0.647268D+00  0.134500D+02
      6   0.134617D+02  0.196988D+02 -0.774405D+00 -0.146481D+01 -0.274747D-01
               121           122           123           124           125 
      1   0.731194D+01 -0.464364D+01 -0.243971D+01  0.106915D+02  0.585250D+00
      2  -0.203030D+01 -0.297627D+00 -0.919020D+00  0.672310D+01 -0.317647D+01
      3  -0.528164D+01  0.494127D+01  0.335873D+01 -0.174146D+02  0.259122D+01
      4   0.561985D+01  0.109935D+01 -0.312976D+01 -0.350831D+00 -0.360231D+01
      5   0.197837D+01 -0.313257D+01 -0.198088D+01  0.196360D+02 -0.178359D+01
      6  -0.146738D+01  0.154107D+01  0.726243D+01  0.202812D+01  0.459161D+01
               126           127           128           129           130 
      1  -0.246235D+02 -0.308039D+01  0.816549D+01  0.550014D+01  0.490471D+01
      2  -0.193975D+02  0.314465D+01 -0.103891D+02 -0.523259D+01 -0.583148D+01
      3   0.440209D+02 -0.642585D-01  0.222366D+01 -0.267552D+00  0.926766D+00
      4  -0.104211D+01 -0.585018D+01  0.134404D+01  0.301553D+01  0.273505D+01
      5  -0.249697D+02  0.136619D+00 -0.370013D+00 -0.524178D+00 -0.403650D+00
      6  -0.102459D+01  0.618575D+01 -0.407459D+01 -0.617550D+01 -0.281035D+01
               131           132           133           134           135 
      1  -0.121998D+02 -0.464474D+01  0.952744D+01 -0.929750D+01 -0.134845D+02
      2   0.143675D+02  0.461728D+01 -0.652340D+01  0.102850D+02  0.908094D+01
      3  -0.216768D+01  0.274578D-01 -0.300404D+01 -0.987484D+00  0.440352D+01
      4  -0.124635D+01 -0.128106D+01  0.587347D+01 -0.141296D+00 -0.207330D+01
      5   0.426271D+00  0.102784D+01 -0.132063D+00  0.190416D+01  0.334883D+01
      6   0.440155D+01  0.845656D+01 -0.533796D+01  0.112422D+02  0.128461D+02
               136           137           138           139           140 
      1  -0.150880D+01  0.389715D+01 -0.626752D+00  0.246491D+01 -0.335055D+02
      2   0.299379D+01 -0.251745D+01 -0.356458D+00 -0.230987D+00  0.443349D+02
      3  -0.148498D+01 -0.137970D+01  0.983210D+00 -0.223392D+01 -0.108294D+02
      4   0.464551D+01  0.812955D+01 -0.302974D+01  0.799361D+01  0.193722D+02
      5  -0.640170D+00 -0.298632D+01  0.374704D+01 -0.207311D+01 -0.856677D+01
      6  -0.321974D+01 -0.475167D+00 -0.621243D+00 -0.850552D+00 -0.277276D+02
               141           142           143           144           145 
      1   0.160047D+02 -0.148098D+00  0.237790D+02 -0.191572D+02 -0.743824D+01
      2  -0.176469D+02 -0.197414D+01 -0.250379D+02  0.140040D+02  0.637907D+01
      3   0.164224D+01  0.212224D+01  0.125890D+01  0.515322D+01  0.105918D+01
      4  -0.890898D+01 -0.411885D+01 -0.141022D+02  0.858648D+01  0.163093D+01
      5   0.540183D+01  0.300927D+01  0.926148D+01 -0.773572D+01 -0.298156D+01
      6   0.193925D+02  0.350459D+00  0.263305D+02 -0.219961D+02 -0.536605D+01
               146           147           148           149           150 
      1  -0.108315D+02  0.636624D+01 -0.843464D+01 -0.234379D+02  0.702180D+01
      2   0.119912D+02 -0.204081D+01  0.996160D+01  0.269620D+02 -0.226428D+01
      3  -0.115971D+01 -0.432543D+01 -0.152697D+01 -0.352406D+01 -0.475752D+01
      4  -0.606932D+00 -0.974448D+00  0.135787D+01 -0.846432D+01  0.277404D+01
      5  -0.445732D+01  0.269164D+01 -0.611200D+01 -0.259919D+01 -0.245222D+01
      6  -0.962510D+01  0.341412D+01 -0.649694D+01 -0.189847D+02  0.929566D+01
               151           152           153           154           155 
      1   0.141194D+01  0.422778D+00 -0.227756D+01 -0.687342D+01  0.292836D+01
      2   0.201354D+00  0.215057D+01  0.813571D+00 -0.211028D+01  0.326191D+01
      3  -0.161330D+01 -0.257335D+01  0.146399D+01  0.898369D+01 -0.619027D+01
      4  -0.117440D+01 -0.814723D+00 -0.509481D+00  0.305525D+01 -0.329280D+01
      5   0.293553D+01 -0.426919D+00  0.104017D+00 -0.218514D+01  0.801948D+00
      6   0.150088D+01  0.522381D+01 -0.184312D+01  0.258582D+01 -0.576163D+01
               156           157           158           159           160 
      1   0.992513D+01  0.499920D+01 -0.950663D+01 -0.103838D+02  0.572245D+01
      2   0.222903D+01  0.118213D+01  0.199145D+01 -0.407498D+01  0.160659D+01
      3  -0.121542D+02 -0.618132D+01  0.751519D+01  0.144588D+02 -0.732905D+01
      4  -0.337793D+01 -0.372211D+01  0.656894D+01  0.435539D+01 -0.334754D+01
      5   0.351379D+01  0.162485D+01 -0.503741D+00  0.389615D+01  0.565216D+01
      6  -0.271541D+01 -0.431182D+01  0.812590D+01  0.559033D+01 -0.344965D+01
               161           162           163           164           165 
      1  -0.618205D+01 -0.103422D+02  0.167726D+02 -0.179824D+01  0.421682D+01
      2  -0.245130D+01 -0.681722D+01 -0.189180D+02  0.338237D+01 -0.164998D+02
      3   0.863335D+01  0.171594D+02  0.214547D+01 -0.158412D+01  0.122830D+02
      4   0.288636D+01  0.339813D+01 -0.136820D+02  0.984969D+01 -0.105468D+02
      5  -0.681621D+00  0.170537D+01  0.351252D+02 -0.106212D+02  0.332220D+02
      6   0.616366D+01  0.435441D+01 -0.864270D+01  0.739491D+01 -0.997538D+01
               166           167           168           169           170 
      1  -0.755349D+00 -0.185726D+01  0.123607D+01  0.433988D+01  0.112074D+01
      2   0.150644D+01  0.307614D+00  0.231558D+00 -0.136014D+02  0.189980D+01
      3  -0.751091D+00  0.154965D+01 -0.146762D+01  0.926148D+01 -0.302054D+01
      4   0.710835D+01 -0.583172D+01  0.724998D+01 -0.830870D+01  0.606580D+01
      5  -0.561673D+01  0.730098D+01 -0.539906D+01  0.261403D+02 -0.852753D+01
      6   0.497700D+01 -0.595130D+01  0.800588D+01 -0.764658D+01  0.742885D+01
               171           172           173           174           175 
      1  -0.281377D+01  0.177274D+02 -0.197496D+01 -0.103325D+02  0.630790D+01
      2  -0.177870D+02 -0.129418D+02  0.828435D+00  0.110867D+02 -0.452518D+01
      3   0.206008D+02 -0.478560D+01  0.114653D+01 -0.754250D+00 -0.178272D+01
      4  -0.873145D+01 -0.550597D+01  0.313450D+01  0.600974D+00  0.122231D+01
      5   0.308167D+02 -0.150547D+02 -0.176919D+01  0.201225D+02 -0.757790D+01
      6  -0.107987D+02  0.260677D+01  0.106633D+00 -0.539182D+01  0.291776D+00
               176           177           178           179           180 
      1  -0.183354D+01 -0.556787D+01 -0.145034D+02 -0.289497D+01  0.105904D+02
      2   0.173572D+00  0.780014D+01  0.152542D+02  0.528845D+01 -0.252331D+02
      3   0.165997D+01 -0.223227D+01 -0.750751D+00 -0.239348D+01  0.146427D+02
      4   0.366958D+01 -0.486141D+01  0.418233D+01 -0.860892D+01 -0.372594D+01
      5  -0.517960D+01  0.105113D+02  0.283587D+02  0.128545D+00 -0.478109D+02
      6  -0.302729D+00  0.179819D+01 -0.778960D+01  0.478346D+01  0.149469D+02
               181           182           183           184           185 
      1  -0.640002D+01 -0.194662D+02 -0.229383D+01 -0.138845D+02 -0.343143D+02
      2   0.699460D+01  0.212024D+02  0.251191D+01  0.937270D+01  0.470943D+02
      3  -0.594581D+00 -0.173622D+01 -0.218082D+00  0.451178D+01 -0.127800D+02
      4  -0.415033D+00 -0.828220D+01 -0.365762D+01  0.579544D+01 -0.325480D+02
      5   0.269977D+01 -0.221642D+01 -0.905022D+00  0.103630D+01 -0.384464D+01
      6   0.721557D+00  0.618226D+01  0.416834D+01  0.205046D+01  0.130192D+02
               186           187           188           189           190 
      1  -0.695383D+01  0.393532D+00 -0.700589D+01 -0.324258D+01  0.682499D+02
      2   0.641284D+01  0.124470D+01  0.507687D+01  0.251375D+01 -0.285206D+02
      3   0.540995D+00 -0.163824D+01  0.192902D+01  0.728834D+00 -0.397292D+02
      4  -0.478132D+01 -0.228879D+01 -0.217745D+01 -0.401691D+01 -0.410901D+02
      5  -0.473997D+01  0.368265D+01 -0.402817D+01 -0.482296D+01  0.161529D+02
      6   0.877892D+01  0.435065D+00  0.855474D+01  0.450238D+01 -0.735195D+01
               191           192           193           194           195 
      1  -0.198966D+02  0.163472D+02 -0.110307D+02  0.508581D+01 -0.415625D+01
      2   0.458583D+01 -0.563667D+01  0.184287D+00  0.439515D+01  0.324065D+00
      3   0.153107D+02 -0.107106D+02  0.108464D+02 -0.948096D+01  0.383218D+01
      4   0.224172D+02 -0.104617D+02  0.191772D+02 -0.157800D+02  0.642161D+01
      5  -0.598273D+01  0.160907D+02 -0.462582D+01  0.459876D+01 -0.204642D+01
      6   0.372923D+01 -0.711433D+01  0.348580D+01 -0.167221D+01  0.328391D+01
               196           197           198           199           200 
      1   0.319920D+02 -0.101808D+02  0.141910D+02  0.565631D+00  0.387085D+00
      2  -0.119754D+02  0.137451D+01 -0.875407D+01 -0.116272D+01  0.126035D-01
      3  -0.200166D+02  0.880628D+01 -0.543694D+01  0.597092D+00 -0.399689D+00
      4  -0.238577D+02  0.169000D+02 -0.997079D+01  0.104286D+01  0.238108D+01
      5   0.202504D+02 -0.687020D+01  0.132817D+02  0.530950D+00  0.144709D+01
      6  -0.877594D+01  0.450918D+01 -0.665417D+01  0.248524D+01  0.496294D+00
               201           202           203           204           205 
      1   0.697426D+00  0.499709D+01 -0.180275D+02 -0.802441D+01  0.203961D+01
      2  -0.564468D+00 -0.316538D+01  0.163879D+02  0.362338D+01 -0.350808D+01
      3  -0.132958D+00 -0.183171D+01  0.163961D+01  0.440104D+01  0.146847D+01
      4   0.102077D+01  0.159423D+01  0.523239D+01  0.193200D+01  0.204941D+01
      5   0.173240D+01  0.103192D+01  0.280457D+01  0.241741D+01  0.210272D+01
      6   0.801743D+00 -0.648265D+00  0.117909D+02  0.746466D+01  0.211436D+01
               206           207           208           209           210 
      1  -0.559050D+01 -0.276518D+01  0.168922D+01 -0.429521D+01 -0.161423D+01
      2   0.243912D+01  0.147732D+01  0.883645D+00  0.252748D+01  0.743628D+00
      3   0.315139D+01  0.128787D+01 -0.257287D+01  0.176772D+01  0.870600D+00
      4   0.630183D+00  0.151822D+01 -0.358835D+01  0.397358D+01  0.145218D+01
      5   0.226212D+01  0.106110D+01 -0.221046D+01  0.113169D+01  0.757179D+00
      6   0.557576D+01  0.434711D+01  0.668327D+00 -0.103103D+01 -0.501085D-01
               211           212           213           214           215 
      1  -0.298546D+01 -0.154165D+02 -0.238005D+01 -0.285174D+01 -0.259920D+01
      2   0.433625D+00  0.214712D+02  0.280625D+01 -0.386975D+00  0.392186D+01
      3   0.255184D+01 -0.605467D+01 -0.426203D+00  0.323872D+01 -0.132266D+01
      4   0.541757D+01 -0.170446D+02 -0.318107D+01  0.354888D+01 -0.452516D+01
      5   0.143363D+01 -0.234322D+01 -0.198400D+01 -0.207533D+01 -0.168582D+01
      6  -0.119216D+01  0.113500D+01  0.379537D+01  0.198434D+01  0.255903D+01
               216           217           218           219           220 
      1  -0.301853D+01  0.177057D+02 -0.644373D+01  0.597838D+01 -0.220520D+02
      2   0.237453D+01 -0.626331D+01  0.133722D+01 -0.225837D+01  0.519166D+01
      3   0.644003D+00 -0.114424D+02  0.510651D+01 -0.372001D+01  0.168603D+02
      4  -0.230381D+01 -0.793134D+01  0.104495D+02 -0.662816D+01  0.325948D+02
      5  -0.981683D+00  0.692800D+01 -0.595301D+01  0.431018D+01 -0.545383D+01
      6   0.150159D+01 -0.301047D+01  0.975707D+00 -0.502788D+00  0.331713D+01
               221           222           223           224           225 
      1   0.973486D+01 -0.370597D+00  0.203637D+02 -0.735650D+01  0.174966D+01
      2   0.105604D+02 -0.517659D+01 -0.733767D+01 -0.315650D+01 -0.285301D+00
      3  -0.202952D+02  0.554718D+01 -0.130260D+02  0.105130D+02 -0.146436D+01
      4  -0.533505D+02  0.154450D+02 -0.192151D+02  0.276054D+02 -0.198799D+02
      5   0.167780D+02 -0.199837D+02  0.139698D+02 -0.212817D+02  0.171149D+02
      6  -0.748774D+01  0.750923D+01 -0.519452D+01  0.979285D+01 -0.673040D+01
               226           227           228           229           230 
      1   0.219697D+01 -0.525528D+00 -0.884477D+01 -0.825265D+01 -0.518511D+00
      2  -0.200551D+01 -0.142368D+00  0.210183D+01  0.376729D+01  0.139879D+01
      3  -0.191466D+00  0.667896D+00  0.674294D+01  0.448536D+01 -0.880281D+00
      4   0.340155D+01 -0.186637D+01 -0.262505D+01  0.131889D+02 -0.200804D+02
      5  -0.197829D+01 -0.333602D+01 -0.357695D+01  0.322706D+01 -0.123023D+02
      6   0.172122D+01  0.250013D+01  0.248772D+01 -0.184951D+01  0.769953D+01
               231           232           233           234           235 
      1  -0.580877D+01 -0.196425D+02 -0.552598D+01 -0.122756D+02  0.100851D+03
      2   0.157203D+01  0.136597D+02 -0.793804D+00 -0.984981D+01 -0.539599D+02
      3   0.423674D+01  0.598279D+01  0.631978D+01  0.221254D+02 -0.468912D+02
      4  -0.125072D+02  0.791762D+01 -0.158348D+02 -0.213572D+02  0.166711D+02
      5  -0.181344D+02  0.177376D+02 -0.229610D+02 -0.536775D+02 -0.122908D+02
      6   0.108194D+02 -0.448777D+01  0.125777D+02  0.177097D+02 -0.272444D+01
               236           237           238           239           240 
      1   0.211284D+02 -0.688967D+01  0.480110D+02  0.179368D+02 -0.500660D+01
      2  -0.126004D+02  0.504647D+01 -0.260676D+02 -0.818484D+01  0.293112D+01
      3  -0.852795D+01  0.184320D+01 -0.219435D+02 -0.975196D+01  0.207548D+01
      4   0.159766D+02 -0.260349D+01  0.213111D+02  0.139283D+02 -0.130239D+01
      5  -0.375659D+01  0.137408D+02 -0.776280D+01 -0.189753D+01  0.679259D+01
      6  -0.167292D+01 -0.420422D-01 -0.271082D+01 -0.241436D+01  0.210752D+01
               241           242           243 
      1  -0.186247D+01 -0.230469D+01  0.930192D+01
      2   0.255208D+01  0.804307D+00 -0.662953D+01
      3  -0.689607D+00  0.150039D+01 -0.267239D+01
      4  -0.203199D+01  0.687157D+00  0.100298D+01
      5   0.151257D+02  0.150829D+01 -0.566495D+01
      6   0.455334D+00  0.266788D+01  0.467583D+00
 Leave Link  716 at Thu Aug 12 20:37:16 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.175948D+03 -0.328410D+01 -0.594138D+01
      2  -0.328410D+01  0.122700D+03  0.235681D+01
      3  -0.594138D+01  0.235681D+01  0.104346D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.114454D+01  0.517210D+01 -0.770269D+01
      2   0.411982D+02 -0.113285D+02  0.319397D+02
      3   0.241530D+02 -0.131661D+02  0.132753D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.782239D+02 -0.135180D+02  0.235308D+02
      2   0.210428D+02  0.194795D+02 -0.351022D+02
      3   0.571811D+02 -0.596143D+01  0.115714D+02
      4   0.763552D+01  0.249952D+02 -0.242583D+02
      5   0.332256D+02 -0.259385D+02  0.814596D+02
      6  -0.365708D+01 -0.390489D+01  0.137883D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.413873D+01  0.126900D+01 -0.444563D+01  0.612879D-01  0.382541D+01
      2   0.126900D+01  0.381987D+01  0.233872D+01  0.382541D+01  0.247067D+01
      3  -0.444563D+01  0.233872D+01 -0.377742D+01  0.239939D+01 -0.189665D+01
                 6             7             8             9            10 
      1   0.239939D+01 -0.336214D+01  0.289361D+01 -0.353131D+01  0.291825D+02
      2  -0.189665D+01  0.289361D+01 -0.890350D+00 -0.102456D+01 -0.223838D+01
      3  -0.196960D+01 -0.353131D+01 -0.102456D+01  0.919881D+00  0.422084D+01
                11            12            13            14            15 
      1  -0.223838D+01  0.422084D+01 -0.141872D+02 -0.271732D+01 -0.337525D+01
      2  -0.278945D+01 -0.235372D+01 -0.271732D+01 -0.483729D+01  0.110395D+01
      3  -0.235372D+01  0.400684D+01 -0.337525D+01  0.110395D+01  0.126278D+01
                16            17            18            19            20 
      1   0.180925D+02 -0.339592D+01  0.654002D+01 -0.446872D+02  0.205471D+01
      2  -0.339592D+01  0.263166D+01  0.765938D+00  0.205471D+01 -0.291085D+01
      3   0.654002D+01  0.765938D+00 -0.291851D+01 -0.153022D+00  0.118615D+01
                21            22            23            24            25 
      1  -0.153022D+00  0.127977D+02 -0.184455D+01  0.262313D+01 -0.752427D+01
      2   0.118615D+01 -0.184455D+01 -0.186833D+01 -0.162970D+01  0.247465D+01
      3  -0.333165D+01  0.262313D+01 -0.162970D+01  0.232106D+01 -0.734418D+01
                26            27            28            29            30 
      1   0.247465D+01 -0.734418D+01  0.596821D+02  0.240268D+00 -0.326161D+01
      2  -0.286099D+01  0.152239D+01  0.240268D+00  0.186693D+01 -0.792313D+00
      3   0.152239D+01  0.536011D+01 -0.326161D+01 -0.792313D+00  0.236519D+01
                31            32            33            34            35 
      1  -0.138636D+02  0.182001D+01  0.418088D-02 -0.152826D+02 -0.166998D+01
      2   0.182001D+01  0.247720D+01  0.147335D+01 -0.166998D+01  0.934166D+00
      3   0.418088D-02  0.147335D+01 -0.143673D+01  0.619360D+01 -0.108877D+00
                36            37            38            39            40 
      1   0.619360D+01 -0.521234D+02 -0.291082D+01  0.302454D+01  0.140428D+02
      2  -0.108877D+00 -0.291082D+01 -0.108475D+01  0.883633D+00 -0.381056D+01
      3  -0.426112D+01  0.302454D+01  0.883633D+00 -0.159985D+01 -0.821276D+00
                41            42            43            44            45 
      1  -0.381056D+01 -0.821276D+00  0.163764D+02  0.128055D+01 -0.471119D+01
      2  -0.208214D+01 -0.142178D+01  0.128055D+01 -0.135708D+01  0.731033D+00
      3  -0.142178D+01  0.233724D+01 -0.471119D+01  0.731033D+00  0.218709D+01
                46            47            48            49            50 
      1   0.181514D+02  0.228065D+01 -0.152462D+01  0.254126D+02  0.981984D+01
      2   0.228065D+01  0.229209D+00  0.670721D+00  0.981984D+01  0.599031D+01
      3  -0.152462D+01  0.670721D+00 -0.726422D+00  0.708769D+00  0.236810D+00
                51            52            53            54            55 
      1   0.708769D+00  0.304323D+01  0.272691D+01 -0.114015D+01 -0.679885D+01
      2   0.236810D+00  0.272691D+01  0.967036D+00  0.561600D+00 -0.310046D+01
      3  -0.660919D+00 -0.114015D+01  0.561600D+00  0.735734D+00 -0.437130D+00
                56            57            58            59            60 
      1  -0.310046D+01 -0.437130D+00 -0.280807D+02 -0.111901D+02  0.278400D+00
      2  -0.174709D+01 -0.694593D+00 -0.111901D+02 -0.111892D+02 -0.582207D+00
      3  -0.694593D+00 -0.402033D+00  0.278400D+00 -0.582207D+00 -0.122654D+01
                61            62            63            64            65 
      1  -0.678361D+01 -0.250330D+01 -0.178261D+01 -0.758072D+01  0.221715D+01
      2  -0.250330D+01 -0.100140D+01 -0.288839D+01  0.221715D+01  0.345650D+01
      3  -0.178261D+01 -0.288839D+01 -0.132525D+01 -0.260766D+01  0.290971D+01
                66            67            68            69            70 
      1  -0.260766D+01  0.183487D+01  0.234570D+01  0.317184D+01 -0.551332D+01
      2   0.290971D+01  0.234570D+01  0.391937D+01 -0.167093D+00  0.320179D+01
      3  -0.291574D+01  0.317184D+01 -0.167093D+00 -0.207578D+01 -0.430162D+01
                71            72            73            74            75 
      1   0.320179D+01 -0.430162D+01 -0.325568D+01 -0.281552D+01  0.163824D+01
      2  -0.103151D+01 -0.757069D+00 -0.281552D+01  0.245882D+01 -0.848001D+00
      3  -0.757069D+00  0.460562D+01  0.163824D+01 -0.848001D+00 -0.291055D+01
                76            77            78            79            80 
      1  -0.375653D+01  0.232596D+01 -0.181270D+01 -0.144637D+01 -0.153226D+01
      2   0.232596D+01  0.635336D+01 -0.414632D+00 -0.153226D+01 -0.923124D+00
      3  -0.181270D+01 -0.414632D+00 -0.162478D+01 -0.545823D+01 -0.265061D+01
                81            82            83            84            85 
      1  -0.545823D+01 -0.423458D+01  0.193709D+01 -0.253474D+01  0.311477D+01
      2  -0.265061D+01  0.193709D+01  0.189621D+01  0.171893D+01  0.263256D+01
      3  -0.170466D+01 -0.253474D+01  0.171893D+01  0.851649D+00  0.132957D+01
                86            87            88            89            90 
      1   0.263256D+01  0.132957D+01 -0.278613D+01  0.177788D+01  0.138319D+01
      2  -0.158581D+01  0.329050D+01  0.177788D+01  0.452120D+01 -0.271559D+01
      3   0.329050D+01 -0.205492D+01  0.138319D+01 -0.271559D+01 -0.467619D+00
                91            92            93            94            95 
      1   0.241935D+01  0.525024D+01  0.102693D+01  0.832172D+01  0.294116D+01
      2   0.525024D+01  0.343662D+00 -0.184927D+01  0.294116D+01 -0.413101D+01
      3   0.102693D+01 -0.184927D+01 -0.149159D+01 -0.178863D+01  0.856897D+00
                96            97            98            99           100 
      1  -0.178863D+01  0.180734D+01 -0.188217D+01  0.184955D+00  0.656316D+01
      2   0.856897D+00 -0.188217D+01  0.147491D+01 -0.386440D+01  0.197057D+01
      3  -0.322478D+01  0.184955D+00 -0.386440D+01 -0.340616D+01 -0.274658D+01
               101           102           103           104           105 
      1   0.197057D+01 -0.274658D+01  0.476029D+00  0.100409D+01 -0.291466D+00
      2   0.145378D+01 -0.619558D+00  0.100409D+01  0.446131D+00 -0.557314D+00
      3  -0.619558D+00  0.219408D+01 -0.291466D+00 -0.557314D+00  0.456754D+00
               106           107           108           109           110 
      1  -0.514692D+01 -0.104288D+01  0.309935D+01  0.247405D+01  0.159093D+01
      2  -0.104288D+01 -0.149543D+01  0.122449D+01  0.159093D+01  0.799525D+00
      3   0.309935D+01  0.122449D+01 -0.264658D+01  0.177172D+01  0.872617D+00
               111           112           113           114           115 
      1   0.177172D+01  0.506871D+00  0.140284D+01  0.102883D+01  0.489361D+01
      2   0.872617D+00  0.140284D+01  0.148174D+01  0.141881D+01  0.222766D+01
      3   0.190277D+01  0.102883D+01  0.141881D+01  0.141242D+01  0.428913D+01
               116           117           118           119           120 
      1   0.222766D+01  0.428913D+01  0.723447D+01 -0.606963D+00 -0.191846D+01
      2   0.257800D+01  0.244749D+01 -0.606963D+00  0.473501D+00 -0.330328D-01
      3   0.244749D+01  0.555895D+01 -0.191846D+01 -0.330328D-01  0.203461D+01
               121           122           123           124           125 
      1  -0.509344D+01  0.834177D+00  0.474972D-01 -0.336598D+01 -0.259565D+00
      2   0.834177D+00 -0.486854D-01 -0.968498D+00 -0.259565D+00 -0.120529D+01
      3   0.474972D-01 -0.968498D+00 -0.106644D+01  0.402806D+01 -0.782908D+00
               126           127           128           129           130 
      1   0.402806D+01 -0.206707D+01  0.353180D+00  0.108737D+01  0.289883D+00
      2  -0.782908D+00  0.353180D+00 -0.167003D+01 -0.846992D+00 -0.961546D+00
      3  -0.877688D+01  0.108737D+01 -0.846992D+00 -0.137228D+01 -0.572558D+00
               131           132           133           134           135 
      1  -0.961546D+00 -0.572558D+00  0.181483D+01 -0.803730D+00 -0.105273D+01
      2   0.208274D+01  0.791931D+00 -0.803730D+00  0.190882D+01  0.173515D+01
      3   0.791931D+00  0.106586D+01 -0.105273D+01  0.173515D+01  0.288599D+01
               136           137           138           139           140 
      1   0.964521D+00  0.109127D+01 -0.373584D+00  0.657013D-01  0.202678D+00
      2   0.109127D+01  0.683951D-01 -0.136528D+00  0.202678D+00  0.751833D+01
      3  -0.373584D+00 -0.136528D+00 -0.513727D-01 -0.150079D+00 -0.349538D+01
               141           142           143           144           145 
      1  -0.150079D+00 -0.975244D+00 -0.307186D+00 -0.221181D+00 -0.171821D+01
      2  -0.349538D+01 -0.307186D+00 -0.517194D+01  0.363262D+01 -0.169795D+01
      3   0.235748D+01 -0.221181D+00  0.363262D+01 -0.327853D+01  0.607176D+00
               146           147           148           149           150 
      1  -0.169795D+01  0.607176D+00 -0.134960D+01 -0.212979D+01  0.175729D+00
      2  -0.274857D+01  0.510177D+00 -0.212979D+01 -0.592465D+01  0.151961D+01
      3   0.510177D+00 -0.706870D+00  0.175729D+00  0.151961D+01 -0.151435D+01
               151           152           153           154           155 
      1  -0.305249D+00 -0.108719D+00 -0.197733D+00 -0.204908D+01  0.974789D+00
      2  -0.108719D+00  0.131989D-01 -0.582780D+00  0.974789D+00 -0.155976D+01
      3  -0.197733D+00 -0.582780D+00  0.297232D+00  0.143639D+01 -0.752707D+00
               156           157           158           159           160 
      1   0.143639D+01  0.140785D+01 -0.146575D+01 -0.977441D+00  0.977299D+00
      2  -0.752707D+00 -0.146575D+01  0.216108D+01  0.125255D+01 -0.779025D+00
      3  -0.162967D+01 -0.977441D+00  0.125255D+01  0.257044D+01 -0.864676D+00
               161           162           163           164           165 
      1  -0.779025D+00 -0.864676D+00  0.572736D+01 -0.151409D+01  0.402446D+01
      2   0.108614D+01  0.117334D+01 -0.151409D+01  0.115048D+01 -0.148401D+01
      3   0.117334D+01  0.254248D+01  0.402446D+01 -0.148401D+01  0.453448D+01
               166           167           168           169           170 
      1  -0.381928D+00  0.724871D+00 -0.752589D+00  0.220342D+01 -0.109391D+01
      2   0.724871D+00 -0.115715D+01  0.128045D+01 -0.109391D+01  0.975486D+00
      3  -0.752589D+00  0.128045D+01 -0.697893D+00  0.326071D+01 -0.125385D+01
               171           172           173           174           175 
      1   0.326071D+01  0.253246D+01 -0.194451D+00 -0.168905D+01  0.112720D+01
      2  -0.125385D+01 -0.194451D+00  0.783564D-01 -0.255543D+00 -0.459279D-02
      3   0.469165D+01 -0.168905D+01 -0.255543D+00  0.219591D+01 -0.955559D+00
               176           177           178           179           180 
      1  -0.459279D-02 -0.955559D+00 -0.247566D+01  0.126857D+00  0.343079D+01
      2   0.374289D+00 -0.812760D+00  0.126857D+00 -0.135259D+01 -0.117651D-01
      3  -0.812760D+00  0.164649D+01  0.343079D+01 -0.117651D-01 -0.699783D+01
               181           182           183           184           185 
      1  -0.835375D+00 -0.112950D+01  0.733738D-01 -0.153669D+01 -0.529541D+00
      2  -0.112950D+01 -0.359800D+01 -0.847837D+00 -0.529541D+00 -0.821030D+01
      3   0.733738D-01 -0.847837D+00 -0.593528D+00 -0.194438D+00 -0.133638D+01
               186           187           188           189           190 
      1  -0.194438D+00  0.473069D+00 -0.441944D+00  0.234427D+00  0.859342D+01
      2  -0.133638D+01 -0.441944D+00 -0.739325D+00 -0.110855D+01 -0.342684D+01
      3  -0.109691D+01  0.234427D+00 -0.110855D+01 -0.910654D+00  0.216955D+01
               191           192           193           194           195 
      1  -0.342684D+01  0.216955D+01 -0.138962D+01  0.178059D+01 -0.768257D+00
      2   0.184664D+01 -0.877033D+00  0.178059D+01 -0.191312D+01  0.559184D+00
      3  -0.877033D+00  0.191032D+01 -0.768257D+00  0.559184D+00 -0.275628D+00
               196           197           198           199           200 
      1   0.566366D+01 -0.227695D+01  0.251428D+01  0.543689D+00 -0.898418D+00
      2  -0.227695D+01  0.192972D+01 -0.865290D+00 -0.898418D+00 -0.298870D+00
      3   0.251428D+01 -0.865290D+00  0.163692D+01 -0.532821D+00 -0.108743D+00
               201           202           203           204           205 
      1  -0.532821D+00 -0.195185D+01 -0.662658D-01  0.310126D+00 -0.198322D+01
      2  -0.108743D+00 -0.662658D-01 -0.580212D+01 -0.172587D+01  0.424522D+00
      3  -0.275393D-01  0.310126D+00 -0.172587D+01 -0.148274D+01 -0.783392D+00
               206           207           208           209           210 
      1   0.424522D+00 -0.783392D+00 -0.908715D+00  0.132613D+01  0.579241D+00
      2  -0.132278D+01 -0.120531D+01  0.132613D+01  0.112012D+00 -0.150385D+00
      3  -0.120531D+01 -0.789855D+00  0.579241D+00 -0.150385D+00 -0.193292D+00
               211           212           213           214           215 
      1   0.217101D+01 -0.224968D+00 -0.286273D+00  0.769255D+00 -0.437388D+00
      2  -0.224968D+00  0.586318D+01  0.111971D+01 -0.437388D+00  0.137115D+01
      3  -0.286273D+00  0.111971D+01  0.814743D+00  0.349737D+00  0.628833D+00
               216           217           218           219           220 
      1   0.349737D+00 -0.298192D+01  0.522459D+00 -0.744746D+00  0.365853D+01
      2   0.628833D+00  0.522459D+00 -0.672160D+00  0.587989D+00 -0.330448D+01
      3   0.166240D+00 -0.744746D+00  0.587989D+00 -0.260308D+00  0.368020D+00
               221           222           223           224           225 
      1  -0.330448D+01  0.368020D+00 -0.268873D+01  0.183530D+01 -0.123096D+01
      2   0.628746D+01 -0.178535D+01  0.183530D+01 -0.318800D+01  0.241055D+01
      3  -0.178535D+01  0.238463D+01 -0.123096D+01  0.241055D+01 -0.191038D+01
               226           227           228           229           230 
      1  -0.886500D+00 -0.455603D+00  0.528319D+00  0.146830D+01 -0.137812D+01
      2  -0.455603D+00  0.569666D+00  0.675875D+00 -0.137812D+01  0.268863D+01
      3   0.528319D+00  0.675875D+00  0.109287D+01 -0.380119D+00  0.176795D+01
               231           232           233           234           235 
      1  -0.380119D+00  0.334853D+01 -0.723765D+00 -0.162258D+01 -0.980245D+01
      2   0.176795D+01 -0.723765D+00  0.220331D+01  0.301684D+01 -0.208942D+01
      3   0.238785D+01 -0.162258D+01  0.301684D+01  0.720382D+01  0.781517D+00
               236           237           238           239           240 
      1  -0.208942D+01  0.781517D+00 -0.516595D+01 -0.203229D+01  0.681169D+00
      2  -0.154404D+01  0.295750D+00 -0.203229D+01 -0.136463D+01  0.121927D+00
      3   0.295750D+00 -0.109860D+01  0.681169D+00  0.121927D+00 -0.609733D+00
               241           242           243 
      1   0.176277D+00  0.288948D+00 -0.126570D+01
      2   0.288948D+00 -0.549826D-01 -0.303415D-01
      3  -0.126570D+01 -0.303415D-01  0.602323D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.289943D+01  0.116327D+02  0.171043D+01  0.115483D+02  0.427008D+01
      2  -0.890640D+01  0.330963D+00  0.519585D+01  0.290914D+01 -0.122845D+02
      3  -0.113091D+01 -0.106299D+02  0.117676D+01 -0.578631D+01 -0.902204D+01
                 6             7             8             9            10 
      1  -0.867155D+01  0.257055D+01 -0.176435D+01 -0.358647D+01  0.702268D+01
      2  -0.851718D+01 -0.262436D+01 -0.667232D+01  0.760459D+01  0.333462D+02
      3   0.936669D-01 -0.213956D+01 -0.956461D+00  0.475193D+01  0.446812D+01
                11            12            13            14            15 
      1  -0.550111D+01  0.238954D+01 -0.196050D+01 -0.392132D+00 -0.329803D+01
      2  -0.722493D+01  0.137589D+02 -0.213710D+02  0.557017D+01  0.294038D+01
      3   0.656902D+01  0.267148D+01  0.103842D+02  0.165073D+02 -0.141394D+01
                16            17            18            19            20 
      1   0.145729D+01  0.595600D+01 -0.141347D+01 -0.896099D+01  0.341771D+01
      2   0.202140D+02  0.272128D+01 -0.394186D+01 -0.326070D+02  0.381227D+01
      3   0.541131D+01 -0.790207D+00 -0.433406D+01 -0.668107D+01 -0.378403D+01
                21            22            23            24            25 
      1  -0.286048D+01  0.160748D+01  0.646603D+01 -0.120102D+01 -0.296914D+01
      2   0.355423D+00  0.165948D+02 -0.363825D+01  0.514919D+01 -0.227168D+02
      3   0.516242D+00  0.101059D+02 -0.140569D+01  0.125000D+01  0.126515D+01
                26            27            28            29            30 
      1   0.399847D+01 -0.335237D+01  0.695416D+01 -0.834371D+00  0.135252D+01
      2   0.346895D+01 -0.373669D+01  0.346006D+02  0.791391D+00 -0.809597D+01
      3   0.176393D+01 -0.158217D+01  0.142155D+02  0.408535D+01 -0.269016D+01
                31            32            33            34            35 
      1   0.241178D+01 -0.341288D+01 -0.365121D+00 -0.307349D+01  0.268732D+01
      2  -0.831263D+01  0.105396D+01  0.773548D+00 -0.433086D+02 -0.687420D+00
      3   0.119035D+02  0.145230D+01 -0.191792D+00 -0.826792D+01 -0.233676D+01
                36            37            38            39            40 
      1   0.301696D+01 -0.123911D+01  0.968460D-01  0.866303D-01  0.284491D+01
      2   0.822902D+01 -0.336195D+02 -0.260348D+01  0.114544D+02  0.781630D+01
      3   0.179640D+01 -0.220350D+02 -0.130099D+02  0.246985D+01  0.116701D+02
                41            42            43            44            45 
      1  -0.742712D+00 -0.188307D+00  0.989873D+01  0.523722D+01 -0.127045D+01
      2  -0.289372D+00 -0.124562D+01  0.200008D+02 -0.128174D+01 -0.866943D+01
      3  -0.441499D+01 -0.338197D+01  0.802101D+01 -0.510567D+00 -0.405726D+00
                46            47            48            49            50 
      1  -0.194220D+01  0.303399D+01 -0.204526D+01  0.268806D+01 -0.191023D+01
      2   0.696230D+01  0.384871D+01 -0.132415D+02  0.132682D+02  0.227232D+01
      3   0.948351D+00  0.742813D+01 -0.373104D+00  0.438103D+02  0.269402D+02
                51            52            53            54            55 
      1   0.412256D+01  0.499196D+01  0.809039D+01  0.357279D+01  0.262280D+01
      2  -0.822388D+01 -0.247211D+02  0.165323D+00  0.414487D+01 -0.132960D+01
      3  -0.177835D+01  0.132676D+01  0.325328D+01  0.156045D+01 -0.122015D+01
                56            57            58            59            60 
      1  -0.609113D+00  0.196498D-01 -0.268676D+00  0.408697D+00 -0.940202D+01
      2   0.288235D+00  0.799726D+01 -0.131757D+02 -0.195998D+01  0.123989D+02
      3  -0.105293D+02 -0.214198D+01 -0.258934D+02 -0.429581D+02 -0.166952D+01
                61            62            63            64            65 
      1  -0.441697D-01  0.931707D+00 -0.227936D+01 -0.560850D+01  0.412393D+01
      2   0.539122D+01  0.669143D+01  0.287563D+01 -0.116472D+02  0.115161D+02
      3  -0.500479D+01 -0.500398D+01 -0.796585D+01  0.232919D+01 -0.192059D+02
                66            67            68            69            70 
      1  -0.793413D+01  0.363416D+01 -0.323554D+01 -0.453972D+01 -0.117231D+02
      2  -0.974736D+01  0.101077D+02  0.584818D+00 -0.418231D+01 -0.193067D+02
      3  -0.631719D+01 -0.565992D+01 -0.215935D+02 -0.495892D+01 -0.465247D+01
                71            72            73            74            75 
      1   0.180091D+01  0.927216D+01 -0.364550D+01  0.349881D+01  0.407440D+01
      2   0.371304D+00  0.128095D+02  0.148586D+01 -0.158814D+01 -0.935761D+01
      3  -0.436448D+01  0.958733D+01  0.880235D+01 -0.173816D+02  0.796804D+01
                76            77            78            79            80 
      1   0.122853D+01  0.365761D+01  0.823178D+00  0.929958D+01  0.671477D+01
      2  -0.507604D+01 -0.235537D+01 -0.604559D+01 -0.245112D+02 -0.996885D+01
      3  -0.707320D+01 -0.172948D+02  0.129594D+00  0.790272D+01 -0.126189D+01
                81            82            83            84            85 
      1   0.209709D+01  0.538623D+01 -0.664633D+01 -0.263883D+01 -0.964103D+01
      2  -0.648986D+01 -0.595881D+01  0.247822D+01  0.223974D+01  0.658873D+01
      3   0.251272D+01 -0.114366D+02 -0.338666D+00 -0.935671D+01  0.793670D+01
                86            87            88            89            90 
      1  -0.108778D+02  0.930507D+00 -0.188403D+01  0.899914D+01  0.137649D+01
      2   0.440122D+01 -0.100541D+01 -0.256188D+01 -0.379628D+00 -0.237880D+00
      3   0.683216D+01  0.498902D+00 -0.124416D+02  0.156766D+00  0.707502D+01
                91            92            93            94            95 
      1   0.567992D+00  0.160804D+01  0.254488D+01  0.500721D+01 -0.387265D+01
      2  -0.627130D+01  0.645502D+01  0.124821D+02  0.846429D+01 -0.550985D+01
      3   0.218578D+02  0.136854D+01 -0.678911D+01  0.208995D+02 -0.154873D+02
                96            97            98            99           100 
      1   0.133301D+01 -0.788085D+01  0.929844D+01  0.224759D+01  0.385922D+01
      2   0.132000D+02 -0.133621D+02  0.222495D+02  0.169417D+02 -0.868896D+01
      3   0.194840D+01 -0.685968D+01  0.583911D+01 -0.172856D+02  0.377600D+01
               101           102           103           104           105 
      1  -0.233762D+00 -0.369671D+01  0.737718D+00  0.565545D+00 -0.164682D+01
      2  -0.165394D+01  0.946420D+01 -0.157680D+01 -0.148753D+01  0.176292D+01
      3  -0.395117D+01 -0.194398D+01  0.184563D-01  0.422351D+00  0.124400D+01
               106           107           108           109           110 
      1  -0.395116D+01  0.225639D+00  0.414704D+01 -0.185173D+01 -0.191739D+00
      2   0.685193D+01  0.320214D+01 -0.914993D+01  0.243575D+01  0.228914D+01
      3  -0.373692D+01  0.493426D+01  0.492375D+00  0.218744D+00 -0.204726D+01
               111           112           113           114           115 
      1  -0.298052D+01 -0.162453D+01 -0.120555D+01 -0.294910D+01 -0.509769D+01
      2   0.721651D+01  0.137818D+01  0.453271D+01  0.486699D+01  0.103355D+02
      3  -0.401630D+00 -0.611728D+00 -0.286023D+01 -0.257341D+01 -0.423002D+00
               116           117           118           119           120 
      1   0.609934D+00 -0.826377D+01  0.474660D+00 -0.141953D+01 -0.329516D+00
      2   0.728273D+01  0.180473D+02  0.551274D+01 -0.107700D+01  0.142840D+01
      3  -0.700968D+01 -0.209119D+01  0.187861D+01 -0.175620D+01 -0.711720D+00
               121           122           123           124           125 
      1  -0.317358D+01 -0.325405D+00  0.368083D+00  0.110499D+01  0.423274D+01
      2  -0.529528D+01  0.580545D+00 -0.809815D+00 -0.270410D+01 -0.845539D+00
      3   0.144564D+01 -0.328920D+00  0.481732D+00 -0.899818D+00  0.160470D+01
               126           127           128           129           130 
      1   0.311524D+01 -0.308289D+01  0.197000D+01  0.432097D+01  0.170703D+01
      2  -0.418219D+01  0.273157D+01 -0.784671D+00 -0.339076D+00 -0.124632D+01
      3   0.128866D+01 -0.855346D+01  0.155043D+01  0.477198D+01  0.357561D+01
               131           132           133           134           135 
      1  -0.171529D+01 -0.372174D+01  0.326082D+01 -0.222650D+01 -0.867430D+01
      2   0.104964D+01  0.754545D+00 -0.350374D+01  0.190790D+01  0.241855D+01
      3  -0.522275D+01 -0.273572D+01  0.796622D+01 -0.434086D+01 -0.637389D+01
               136           137           138           139           140 
      1   0.123595D+00  0.656618D+00  0.403813D+00 -0.513320D+00  0.369479D+01
      2   0.419135D+00  0.184157D+00  0.572447D+00  0.868943D+00 -0.321768D+01
      3  -0.146527D+01  0.774944D+00 -0.265793D+00  0.473895D+01 -0.107876D+02
               141           142           143           144           145 
      1  -0.675182D+01  0.566982D+00 -0.405694D+01  0.709793D+01 -0.357835D+01
      2   0.219964D+01 -0.223037D+01  0.350971D+01 -0.333696D+01  0.659302D+01
      3   0.483364D+01 -0.254665D+01  0.644333D+01 -0.591627D+01  0.749927D+01
               146           147           148           149           150 
      1  -0.575742D+01 -0.127862D+01 -0.484423D+01 -0.990637D+01 -0.181291D+01
      2   0.463675D+01 -0.120674D+01  0.534975D+01  0.816677D+01 -0.171032D+01
      3   0.550253D+01 -0.128108D+01  0.856488D+01  0.114668D+02 -0.292564D+01
               151           152           153           154           155 
      1  -0.110691D+01  0.732518D+00 -0.128557D+01  0.438350D+01 -0.583548D+01
      2  -0.129112D+01 -0.687479D+00  0.840038D+00  0.989649D+01 -0.430377D+01
      3   0.123873D+01  0.460210D+00  0.143516D+01 -0.407782D+00  0.218809D+00
               156           157           158           159           160 
      1  -0.224529D+01 -0.494005D+01  0.779504D+01  0.246441D+01 -0.229550D+01
      2  -0.408710D+01 -0.664750D+01  0.623768D+01  0.570201D+01 -0.538056D+01
      3  -0.205205D+00  0.257198D+01 -0.750334D+00 -0.943307D+00  0.405877D+00
               161           162           163           164           165 
      1   0.468813D+01  0.390660D+01  0.121640D+01  0.187986D+01  0.232697D+01
      2   0.381454D+01  0.558489D+01 -0.289618D+01 -0.611902D+00  0.425083D+01
      3  -0.158835D-01 -0.985876D+00 -0.189036D+01 -0.280038D+01 -0.261479D+00
               166           167           168           169           170 
      1   0.339519D+00 -0.104924D+01  0.236698D+00  0.127294D+01  0.268669D+01
      2   0.878530D+00  0.161217D+01  0.211562D+00 -0.356653D+01 -0.151001D+00
      3   0.180014D+00  0.194387D+01 -0.143199D+01 -0.192964D+01 -0.172734D+01
               171           172           173           174           175 
      1   0.296610D+01 -0.278446D+01 -0.130919D+01  0.421286D+01 -0.985362D+00
      2   0.359108D+01 -0.332686D+01 -0.818782D+00  0.713848D+01 -0.138205D+01
      3  -0.786125D+00 -0.283456D+01 -0.104768D+01  0.347011D+01 -0.122590D+00
               176           177           178           179           180 
      1  -0.252821D+01  0.218527D+01  0.513781D+01  0.447544D+01 -0.115418D+02
      2  -0.261767D+01  0.486617D+01  0.601572D+01  0.649584D+00 -0.203721D+02
      3  -0.169664D+01  0.364105D+01  0.347734D+01  0.572850D+01 -0.520413D+01
               181           182           183           184           185 
      1   0.937381D+00  0.360760D+00 -0.167805D+01  0.372726D+00  0.242375D+01
      2  -0.975490D+00 -0.312427D+01 -0.557152D+00 -0.193538D+01 -0.468539D+01
      3   0.800242D+01  0.130186D+02  0.249428D+01  0.789305D+01  0.283556D+02
               186           187           188           189           190 
      1  -0.395647D+01  0.300261D+00  0.117523D-01 -0.139573D+01  0.568200D+01
      2  -0.279287D+01 -0.187011D+00 -0.327950D+01 -0.234039D+01  0.105966D+02
      3   0.492822D+01  0.168348D+01  0.369593D+01  0.323039D+01 -0.367650D+01
               191           192           193           194           195 
      1  -0.204884D+01  0.491107D+01 -0.233493D+01  0.172753D+01 -0.187677D+01
      2  -0.470910D+01  0.105013D+02 -0.374145D+01  0.289628D+01 -0.204452D+01
      3  -0.361983D+01 -0.722945D+00 -0.929957D+00  0.436325D+01 -0.377503D+00
               196           197           198           199           200 
      1   0.481342D+01 -0.632627D+00  0.361449D+01 -0.917704D+00  0.501744D+00
      2   0.918483D+01 -0.338863D+01  0.787808D+01  0.994242D+00 -0.636459D+00
      3  -0.347961D+00 -0.389028D+01 -0.114674D+01  0.109011D+01  0.262850D+00
               201           202           203           204           205 
      1  -0.738674D+00  0.132877D+01  0.565321D+01 -0.243412D+01 -0.596189D+01
      2   0.143843D+00 -0.243348D+01 -0.555491D+00  0.154731D+01 -0.127468D+01
      3  -0.258007D+00  0.469360D+01 -0.350361D+01  0.106765D+00  0.117169D+01
               206           207           208           209           210 
      1   0.109665D+01  0.343860D+00 -0.162607D+01  0.162414D+00  0.301484D+00
      2   0.118375D+01 -0.124070D-01 -0.410306D+01  0.159033D+00  0.841286D+00
      3  -0.141559D-01 -0.162130D+01  0.403546D+01  0.159800D+01  0.142395D+00
               211           212           213           214           215 
      1   0.174305D+01 -0.861984D+00 -0.384125D+01 -0.642719D+01  0.203784D+00
      2   0.270704D+01 -0.290010D+01 -0.222662D+01 -0.106382D+02 -0.189064D+01
      3   0.492392D+01  0.112260D+02  0.214747D+01  0.133660D+01  0.223920D+01
               216           217           218           219           220 
      1   0.211226D-01  0.107885D+00 -0.916752D+00  0.717185D+00 -0.290364D+01
      2   0.616898D+00  0.113222D+01 -0.257510D+01  0.275005D+01 -0.452051D+01
      3   0.120172D+01  0.212437D+00 -0.356161D+01  0.179494D+01 -0.923887D+01
               221           222           223           224           225 
      1   0.503482D+01 -0.465519D+01  0.306903D+01 -0.309762D+01  0.344277D+01
      2   0.104482D+02 -0.101753D+02  0.868834D+01 -0.121012D+02  0.819555D+01
      3   0.243010D+02 -0.750242D+01  0.541734D+01 -0.128690D+02  0.952677D+01
               226           227           228           229           230 
      1   0.626754D+00 -0.324738D+00 -0.113815D+01  0.102348D+00 -0.627397D-01
      2   0.300540D+00 -0.373732D+01 -0.546939D+01  0.789993D+00 -0.810429D+01
      3  -0.923636D+00  0.916975D+00  0.321658D+01 -0.305115D+01  0.970061D+01
               231           232           233           234           235 
      1  -0.250957D+01  0.199329D+01 -0.133062D+00 -0.565273D+01 -0.182832D+01
      2  -0.105844D+02  0.635611D+01 -0.143763D+02 -0.323046D+02  0.353260D+00
      3   0.702590D+01  0.839455D+00  0.874131D+01  0.117196D+02 -0.154381D+02
               236           237           238           239           240 
      1  -0.131507D+01  0.191818D+00 -0.114195D+01 -0.778232D+00 -0.814559D+00
      2  -0.161252D+00  0.648326D+01 -0.100743D+01  0.198933D+00  0.319060D+01
      3  -0.109839D+02  0.184861D+01 -0.897413D+01 -0.782938D+01  0.587897D+00
               241           242           243 
      1   0.103632D+01  0.586535D+00 -0.343433D+00
      2   0.287537D+01  0.136473D+00 -0.203614D+01
      3   0.178634D+01  0.231048D+00 -0.479600D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.736428D+01  0.601657D+01 -0.983789D+01  0.213591D+01  0.214154D+02
      2   0.731728D+01 -0.197021D+02  0.131475D+02 -0.146462D+02 -0.136097D+02
      3  -0.146816D+02  0.136855D+02 -0.330961D+01  0.125102D+02 -0.780570D+01
      4   0.791085D+01  0.827480D+01  0.135531D+02  0.110420D+02 -0.401931D+00
      5  -0.240574D+02  0.127004D+02 -0.280648D+02  0.131179D+02  0.276798D+01
      6   0.778494D+01  0.696842D+01  0.123440D+02  0.718393D+01  0.785905D+01
                 6             7             8             9            10 
      1   0.105690D+02 -0.443717D+01  0.133125D+02 -0.200116D+02 -0.440518D+01
      2   0.201459D+00  0.945219D+01 -0.231219D+01  0.112724D+02 -0.111517D+01
      3  -0.107705D+02 -0.501502D+01 -0.110004D+02  0.873918D+01  0.552035D+01
      4  -0.821558D+01  0.162846D+02 -0.630879D+01  0.315644D+01 -0.201341D+02
      5  -0.706249D+00 -0.278992D+02  0.562652D+01 -0.863674D+01  0.135265D+02
      6  -0.254708D+01  0.121526D+02 -0.249972D+01 -0.662427D+01 -0.112989D+02
                11            12            13            14            15 
      1  -0.851648D+01  0.202077D+01  0.299444D+01 -0.295417D+02 -0.112796D+02
      2   0.137128D+02 -0.223520D+01  0.121249D+00  0.145055D+02  0.268741D+01
      3  -0.519631D+01  0.214425D+00 -0.311569D+01  0.150362D+02  0.859218D+01
      4  -0.137590D+02 -0.144974D+02 -0.201876D+02 -0.225199D+02  0.620494D+01
      5  -0.131372D+02  0.176507D+02 -0.162772D+02  0.125087D+01  0.771059D+01
      6   0.930928D+01 -0.287223D+01  0.226901D+01 -0.125532D+02 -0.144409D+01
                16            17            18            19            20 
      1   0.257474D+01 -0.192149D+02  0.181369D+02  0.430896D+02  0.141789D+02
      2   0.610784D+01  0.835275D+01 -0.133122D+02 -0.177217D+02 -0.139980D+02
      3  -0.868258D+01  0.108622D+02 -0.482468D+01 -0.253679D+02 -0.180829D+00
      4  -0.244710D+02  0.157532D+02  0.202324D+01  0.285551D+02 -0.687595D+01
      5   0.272676D+02  0.273324D+01 -0.104841D+02  0.119161D+02  0.381761D+01
      6  -0.406781D+01 -0.989114D+00  0.924360D+01  0.115614D+02  0.131612D+01
                21            22            23            24            25 
      1  -0.443574D+01  0.194022D+01  0.360476D+01  0.351771D+01 -0.244293D+02
      2  -0.213044D+01 -0.280162D+01 -0.663701D+01 -0.200463D+01 -0.783077D+01
      3   0.656618D+01  0.861404D+00  0.303225D+01 -0.151308D+01  0.322600D+02
      4   0.572548D+01 -0.476146D+01 -0.159892D+01 -0.456452D+01  0.151665D+02
      5  -0.809552D+01  0.754434D+01 -0.809868D+00  0.500042D+01 -0.202287D+02
      6   0.981570D+00  0.135089D+01  0.453044D+01  0.291335D+01 -0.226317D+01
                26            27            28            29            30 
      1   0.970505D+01  0.113623D+02 -0.119768D+03 -0.443923D+01  0.816255D+01
      2  -0.788178D+01  0.143270D+02  0.476799D+02 -0.220284D+00 -0.218912D+01
      3  -0.182327D+01 -0.256893D+02  0.720878D+02  0.465952D+01 -0.597343D+01
      4  -0.122919D+02  0.323754D+01 -0.171675D+02 -0.981886D+01  0.225557D+01
      5   0.358954D+01  0.167849D+02 -0.114500D+02  0.224166D+01 -0.110694D+02
      6   0.391849D+01 -0.106113D+01 -0.905529D+01 -0.393497D+01  0.219490D+01
                31            32            33            34            35 
      1   0.417446D+02  0.450501D+01  0.251144D+01  0.413105D+02  0.790862D+01
      2  -0.193719D+02 -0.319510D+01 -0.254680D+01 -0.108325D+02 -0.515981D+01
      3  -0.223727D+02 -0.130991D+01  0.353578D-01 -0.304780D+02 -0.274881D+01
      4   0.444864D-02 -0.340944D+01 -0.170792D+01  0.349935D+01  0.624697D+01
      5  -0.288032D+01 -0.295834D+01  0.202184D+01 -0.283634D+01 -0.168534D+01
      6  -0.109113D+01 -0.972497D+01 -0.249486D+01  0.565038D+00  0.374449D+01
                36            37            38            39            40 
      1  -0.272190D+02  0.135877D+03  0.838299D+01 -0.129604D+02 -0.416289D+02
      2  -0.134882D+01 -0.485272D+02 -0.114377D+01  0.315825D+01  0.201147D+02
      3   0.285678D+02 -0.873497D+02 -0.723922D+01  0.980218D+01  0.215141D+02
      4  -0.209155D+01  0.227121D+02  0.231033D+02 -0.328083D+01  0.239349D+02
      5   0.105064D+02  0.555468D+01 -0.898432D+00  0.184975D+02  0.141577D+01
      6  -0.329358D+01  0.917413D+01  0.297482D+01 -0.419971D+01  0.212881D+01
                41            42            43            44            45 
      1   0.930198D+01  0.939219D+01 -0.373645D+02  0.105385D+01  0.356459D+01
      2  -0.845807D+01 -0.384201D+01  0.173016D+02 -0.252680D+01 -0.622988D+01
      3  -0.843903D+00 -0.555018D+01  0.200629D+02  0.147295D+01  0.266530D+01
      4   0.714454D+01  0.308006D+01 -0.938361D+01  0.602825D+00 -0.273469D+01
      5   0.566618D+01 -0.732026D+01  0.235960D+02 -0.371703D+01 -0.548854D+01
      6  -0.265781D+01  0.520118D+01 -0.106884D+02  0.474637D+01 -0.427085D+00
                46            47            48            49            50 
      1  -0.534989D+02  0.128821D+02  0.460382D+01 -0.383677D+02 -0.243475D+02
      2   0.134640D+02 -0.934913D+01 -0.619414D+01  0.868241D+00 -0.174304D+01
      3   0.400348D+02 -0.353299D+01  0.159032D+01  0.374995D+02  0.260905D+02
      4  -0.164481D+01 -0.282351D+02 -0.585731D+01 -0.776394D+02 -0.471494D+02
      5   0.659737D+01 -0.928694D+01 -0.182977D+02 -0.265135D+02 -0.600380D+01
      6  -0.114623D+02  0.307970D+01  0.327522D+01 -0.867996D+01 -0.638124D+01
                51            52            53            54            55 
      1  -0.685523D+01  0.428793D+01 -0.106095D+02 -0.225179D+01  0.334864D+02
      2   0.689725D+01 -0.560540D+01  0.176476D+00 -0.377335D+01 -0.130727D+02
      3  -0.420221D-01  0.131747D+01  0.104330D+02  0.602514D+01 -0.204137D+02
      4  -0.267056D+00 -0.244260D+02 -0.251181D+01 -0.344818D+01  0.249969D+02
      5  -0.423545D+01  0.344737D+01 -0.434049D+01  0.146135D+01  0.752044D+01
      6  -0.743492D+01  0.535524D+00  0.400500D+01 -0.457275D+01  0.280865D+01
                56            57            58            59            60 
      1   0.113015D+02  0.256523D+01  0.726142D+02  0.777981D+01 -0.293359D+01
      2  -0.209169D+01 -0.229416D+00 -0.166852D+02  0.287582D+02 -0.233305D+00
      3  -0.920982D+01 -0.233582D+01 -0.559289D+02 -0.365380D+02  0.316690D+01
      4   0.277277D+02  0.520230D+01  0.826246D+02  0.820063D+02  0.475381D+01
      5   0.639216D+01  0.133915D+02  0.126662D+02  0.110464D+02  0.158866D+02
      6   0.145190D+01  0.204760D+01  0.100982D+02  0.714646D+01  0.155436D+02
                61            62            63            64            65 
      1   0.189914D+02  0.476161D+01  0.170641D+00 -0.314949D+02  0.264613D+02
      2  -0.702715D+01 -0.134705D+01 -0.156136D+00  0.126847D+02 -0.249104D+02
      3  -0.119643D+02 -0.341456D+01 -0.145050D-01  0.188102D+02 -0.155090D+01
      4   0.177777D+02  0.796084D+01  0.205526D+02  0.234289D+02  0.105716D+02
      5   0.219164D+02  0.204234D+02  0.999303D+01 -0.173623D+02  0.182480D+02
      6   0.103497D+02  0.137928D+02  0.659242D+01  0.122824D+02 -0.150680D+02
                66            67            68            69            70 
      1  -0.124127D+02  0.166577D+02  0.320459D+02  0.209803D+02 -0.218661D+02
      2  -0.442844D+01 -0.141292D+02 -0.284329D+02 -0.135537D+02 -0.260919D+01
      3   0.168411D+02 -0.252846D+01 -0.361299D+01 -0.742665D+01  0.244753D+02
      4   0.226126D+02  0.101561D+02  0.641933D+01 -0.793205D+01  0.294797D+02
      5  -0.191193D+02  0.198089D+02 -0.587467D+01 -0.127027D+02 -0.272034D+02
      6   0.613060D+01 -0.115166D+02 -0.151928D+01  0.315971D+01  0.846389D+01
                71            72            73            74            75 
      1   0.243493D+02 -0.257845D+02 -0.373626D+00 -0.170674D+02  0.229190D+02
      2  -0.144874D+02  0.253725D+02 -0.156580D+01  0.118655D+02 -0.135582D+02
      3  -0.986191D+01  0.411986D+00  0.193943D+01  0.520186D+01 -0.936078D+01
      4  -0.134028D+02  0.136514D+01 -0.158076D+02  0.241871D+01  0.321721D+01
      5  -0.535184D+01  0.299182D+02  0.113605D+02 -0.281499D+01 -0.213001D+02
      6   0.362777D+01 -0.596654D+01  0.439611D+01 -0.786223D+01 -0.729709D+01
                76            77            78            79            80 
      1  -0.193229D+02  0.139071D+02 -0.588283D+01  0.253406D+02 -0.195308D+00
      2   0.190032D+02  0.953337D+00  0.468684D+01 -0.141956D+02  0.943702D+00
      3   0.319701D+00 -0.148605D+02  0.119599D+01 -0.111450D+02 -0.748394D+00
      4   0.983615D+01  0.386910D+02 -0.405559D+01 -0.330165D+01 -0.992886D+01
      5  -0.108202D+02  0.210851D+01 -0.132756D+02 -0.375182D+02 -0.187102D+02
      6  -0.276949D+01  0.105625D+01 -0.575422D+01 -0.153821D+02 -0.737357D+01
                81            82            83            84            85 
      1  -0.224461D+02 -0.201538D+02 -0.350622D+01 -0.150717D+02  0.666741D+00
      2   0.150002D+02  0.169182D+02  0.886919D+01  0.147500D+02  0.305352D+01
      3   0.744590D+01  0.323562D+01 -0.536297D+01  0.321761D+00 -0.372026D+01
      4  -0.239395D+02 -0.234047D+01  0.103773D+02 -0.457678D+01  0.114292D+02
      5  -0.126851D+02 -0.812833D+01  0.224917D+01  0.675818D+00  0.621788D+01
      6  -0.101663D+02 -0.109036D+02  0.613803D+01  0.333201D+01  0.374206D+01
                86            87            88            89            90 
      1   0.135133D+02 -0.696685D+01 -0.184183D+02 -0.146639D+02  0.149728D+02
      2  -0.785822D+01  0.114297D+02  0.167473D+02  0.214641D+02 -0.171531D+02
      3  -0.565506D+01 -0.446284D+01  0.167096D+01 -0.680022D+01  0.218026D+01
      4  -0.321484D+01  0.133554D+02 -0.458827D+01  0.188695D+02 -0.158296D+01
      5   0.712155D+01 -0.204709D+01  0.362175D+01 -0.444797D+01  0.470382D+00
      6   0.199312D+02 -0.141015D+02  0.455910D+01 -0.201790D+02  0.303640D+01
                91            92            93            94            95 
      1  -0.253074D+02 -0.414299D+02 -0.172087D+01 -0.597370D+02 -0.145826D+02
      2   0.148708D+02  0.222439D+02  0.305406D+01  0.321422D+02  0.444528D+01
      3   0.104366D+02  0.191860D+02 -0.133319D+01  0.275948D+02  0.101373D+02
      4  -0.489889D+02  0.495306D+01  0.160069D+02 -0.187405D+02  0.282648D+02
      5  -0.859595D+01  0.173007D+02  0.159394D+02  0.191993D+02 -0.103816D+02
      6   0.720277D+01 -0.424490D+01 -0.636855D+01 -0.462362D+01  0.631995D+01
                96            97            98            99           100 
      1   0.163696D+02 -0.133381D+02  0.174853D+02  0.147608D+02  0.516435D+02
      2  -0.752633D+00  0.996725D+00  0.240087D+01 -0.426422D+01 -0.255629D+02
      3  -0.156169D+02  0.123414D+02 -0.198862D+02 -0.104966D+02 -0.260806D+02
      4  -0.108022D+02  0.202453D+02 -0.181952D+02  0.279714D+02  0.269113D+02
      5   0.228190D+02 -0.230786D+01  0.301352D+02  0.223360D+02 -0.227449D+02
      6  -0.622571D+01  0.310130D+01 -0.107972D+02 -0.910626D+01 -0.600625D+01
               101           102           103           104           105 
      1   0.114722D+02 -0.191284D+02  0.436106D+01  0.460634D+01  0.111194D+00
      2  -0.335294D+01  0.999420D+01  0.561650D-01 -0.687772D+00 -0.162821D+01
      3  -0.811927D+01  0.913421D+01 -0.441723D+01 -0.391857D+01  0.151702D+01
      4   0.151475D+02 -0.892887D+01  0.123957D+02  0.598265D+01 -0.557089D+01
      5  -0.449525D+01  0.182283D+02 -0.220475D+01 -0.541721D+01  0.367917D+01
      6  -0.198230D+01  0.563078D+01 -0.273460D+01 -0.286028D+01  0.436698D+01
               106           107           108           109           110 
      1  -0.310380D+02 -0.406997D+01  0.163733D+02  0.203703D+02  0.864569D+01
      2   0.168650D+02 -0.505941D+00 -0.117573D+02 -0.113958D+02 -0.415420D+01
      3   0.141730D+02  0.457591D+01 -0.461599D+01 -0.897449D+01 -0.449150D+01
      4  -0.164256D+02 -0.118359D+02  0.133449D+02  0.179083D+02  0.111643D+02
      5   0.252826D+02  0.866585D+01 -0.197427D+02  0.160470D+02  0.746074D+01
      6   0.817195D+01  0.524082D+01 -0.662506D+01  0.763090D+01  0.457422D+01
               111           112           113           114           115 
      1   0.715328D+01  0.652949D+01 -0.150423D+01  0.369569D+00  0.148733D+02
      2  -0.486083D+01 -0.185281D+01  0.459751D+01  0.156414D+01 -0.113439D+02
      3  -0.229245D+01 -0.467669D+01 -0.309328D+01 -0.193371D+01 -0.352942D+01
      4   0.910600D+01  0.144600D+02  0.109768D+02  0.115554D+02  0.212650D+02
      5   0.175374D+02  0.801932D+01  0.994502D+01  0.984310D+01  0.324170D+02
      6   0.654511D+01  0.691678D+01  0.803786D+01  0.960306D+01  0.150317D+02
               116           117           118           119           120 
      1   0.163635D+01  0.697517D+01 -0.268921D+01 -0.352687D-01  0.179164D+01
      2   0.687375D+00 -0.130516D+02 -0.578605D+01  0.940363D+00  0.455229D+01
      3  -0.232373D+01  0.607644D+01  0.847525D+01 -0.905094D+00 -0.634392D+01
      4   0.200739D+02  0.212507D+02 -0.200826D+01  0.404335D+01 -0.365693D+00
      5   0.169771D+02  0.378563D+02 -0.103574D+02  0.647268D+00  0.134500D+02
      6   0.134617D+02  0.196988D+02 -0.774405D+00 -0.146481D+01 -0.274747D-01
               121           122           123           124           125 
      1   0.731194D+01 -0.464364D+01 -0.243971D+01  0.106915D+02  0.585250D+00
      2  -0.203030D+01 -0.297627D+00 -0.919020D+00  0.672310D+01 -0.317647D+01
      3  -0.528164D+01  0.494127D+01  0.335873D+01 -0.174146D+02  0.259122D+01
      4   0.561985D+01  0.109935D+01 -0.312976D+01 -0.350831D+00 -0.360231D+01
      5   0.197837D+01 -0.313257D+01 -0.198088D+01  0.196360D+02 -0.178359D+01
      6  -0.146738D+01  0.154107D+01  0.726243D+01  0.202812D+01  0.459161D+01
               126           127           128           129           130 
      1  -0.246235D+02 -0.308039D+01  0.816549D+01  0.550014D+01  0.490471D+01
      2  -0.193975D+02  0.314465D+01 -0.103891D+02 -0.523259D+01 -0.583148D+01
      3   0.440209D+02 -0.642585D-01  0.222366D+01 -0.267552D+00  0.926766D+00
      4  -0.104211D+01 -0.585018D+01  0.134404D+01  0.301553D+01  0.273505D+01
      5  -0.249697D+02  0.136619D+00 -0.370013D+00 -0.524178D+00 -0.403650D+00
      6  -0.102459D+01  0.618575D+01 -0.407459D+01 -0.617550D+01 -0.281035D+01
               131           132           133           134           135 
      1  -0.121998D+02 -0.464474D+01  0.952744D+01 -0.929750D+01 -0.134845D+02
      2   0.143675D+02  0.461728D+01 -0.652340D+01  0.102850D+02  0.908094D+01
      3  -0.216768D+01  0.274578D-01 -0.300404D+01 -0.987484D+00  0.440352D+01
      4  -0.124635D+01 -0.128106D+01  0.587347D+01 -0.141296D+00 -0.207330D+01
      5   0.426271D+00  0.102784D+01 -0.132063D+00  0.190416D+01  0.334883D+01
      6   0.440155D+01  0.845656D+01 -0.533796D+01  0.112422D+02  0.128461D+02
               136           137           138           139           140 
      1  -0.150880D+01  0.389715D+01 -0.626752D+00  0.246491D+01 -0.335055D+02
      2   0.299379D+01 -0.251745D+01 -0.356458D+00 -0.230987D+00  0.443349D+02
      3  -0.148498D+01 -0.137970D+01  0.983210D+00 -0.223392D+01 -0.108294D+02
      4   0.464551D+01  0.812955D+01 -0.302974D+01  0.799361D+01  0.193722D+02
      5  -0.640170D+00 -0.298632D+01  0.374704D+01 -0.207311D+01 -0.856677D+01
      6  -0.321974D+01 -0.475167D+00 -0.621243D+00 -0.850552D+00 -0.277276D+02
               141           142           143           144           145 
      1   0.160047D+02 -0.148098D+00  0.237790D+02 -0.191572D+02 -0.743824D+01
      2  -0.176469D+02 -0.197414D+01 -0.250379D+02  0.140040D+02  0.637907D+01
      3   0.164224D+01  0.212224D+01  0.125890D+01  0.515322D+01  0.105918D+01
      4  -0.890898D+01 -0.411885D+01 -0.141022D+02  0.858648D+01  0.163093D+01
      5   0.540183D+01  0.300927D+01  0.926148D+01 -0.773572D+01 -0.298156D+01
      6   0.193925D+02  0.350459D+00  0.263305D+02 -0.219961D+02 -0.536605D+01
               146           147           148           149           150 
      1  -0.108315D+02  0.636624D+01 -0.843464D+01 -0.234379D+02  0.702180D+01
      2   0.119912D+02 -0.204081D+01  0.996160D+01  0.269620D+02 -0.226428D+01
      3  -0.115971D+01 -0.432543D+01 -0.152697D+01 -0.352406D+01 -0.475752D+01
      4  -0.606932D+00 -0.974448D+00  0.135787D+01 -0.846432D+01  0.277404D+01
      5  -0.445732D+01  0.269164D+01 -0.611200D+01 -0.259919D+01 -0.245222D+01
      6  -0.962510D+01  0.341412D+01 -0.649694D+01 -0.189847D+02  0.929566D+01
               151           152           153           154           155 
      1   0.141194D+01  0.422778D+00 -0.227756D+01 -0.687342D+01  0.292836D+01
      2   0.201354D+00  0.215057D+01  0.813571D+00 -0.211028D+01  0.326191D+01
      3  -0.161330D+01 -0.257335D+01  0.146399D+01  0.898369D+01 -0.619027D+01
      4  -0.117440D+01 -0.814723D+00 -0.509481D+00  0.305525D+01 -0.329280D+01
      5   0.293553D+01 -0.426919D+00  0.104017D+00 -0.218514D+01  0.801948D+00
      6   0.150088D+01  0.522381D+01 -0.184312D+01  0.258582D+01 -0.576163D+01
               156           157           158           159           160 
      1   0.992513D+01  0.499920D+01 -0.950663D+01 -0.103838D+02  0.572245D+01
      2   0.222903D+01  0.118213D+01  0.199145D+01 -0.407498D+01  0.160659D+01
      3  -0.121542D+02 -0.618132D+01  0.751519D+01  0.144588D+02 -0.732905D+01
      4  -0.337793D+01 -0.372211D+01  0.656894D+01  0.435539D+01 -0.334754D+01
      5   0.351379D+01  0.162485D+01 -0.503741D+00  0.389615D+01  0.565216D+01
      6  -0.271541D+01 -0.431182D+01  0.812590D+01  0.559033D+01 -0.344965D+01
               161           162           163           164           165 
      1  -0.618205D+01 -0.103422D+02  0.167726D+02 -0.179824D+01  0.421682D+01
      2  -0.245130D+01 -0.681722D+01 -0.189180D+02  0.338237D+01 -0.164998D+02
      3   0.863335D+01  0.171594D+02  0.214547D+01 -0.158412D+01  0.122830D+02
      4   0.288636D+01  0.339813D+01 -0.136820D+02  0.984969D+01 -0.105468D+02
      5  -0.681621D+00  0.170537D+01  0.351252D+02 -0.106212D+02  0.332220D+02
      6   0.616366D+01  0.435441D+01 -0.864270D+01  0.739491D+01 -0.997538D+01
               166           167           168           169           170 
      1  -0.755349D+00 -0.185726D+01  0.123607D+01  0.433988D+01  0.112074D+01
      2   0.150644D+01  0.307614D+00  0.231558D+00 -0.136014D+02  0.189980D+01
      3  -0.751091D+00  0.154965D+01 -0.146762D+01  0.926148D+01 -0.302054D+01
      4   0.710835D+01 -0.583172D+01  0.724998D+01 -0.830870D+01  0.606580D+01
      5  -0.561673D+01  0.730098D+01 -0.539906D+01  0.261403D+02 -0.852753D+01
      6   0.497700D+01 -0.595130D+01  0.800588D+01 -0.764658D+01  0.742885D+01
               171           172           173           174           175 
      1  -0.281377D+01  0.177274D+02 -0.197496D+01 -0.103325D+02  0.630790D+01
      2  -0.177870D+02 -0.129418D+02  0.828435D+00  0.110867D+02 -0.452518D+01
      3   0.206008D+02 -0.478560D+01  0.114653D+01 -0.754250D+00 -0.178272D+01
      4  -0.873145D+01 -0.550597D+01  0.313450D+01  0.600974D+00  0.122231D+01
      5   0.308167D+02 -0.150547D+02 -0.176919D+01  0.201225D+02 -0.757790D+01
      6  -0.107987D+02  0.260677D+01  0.106633D+00 -0.539182D+01  0.291776D+00
               176           177           178           179           180 
      1  -0.183354D+01 -0.556787D+01 -0.145034D+02 -0.289497D+01  0.105904D+02
      2   0.173572D+00  0.780014D+01  0.152542D+02  0.528845D+01 -0.252331D+02
      3   0.165997D+01 -0.223227D+01 -0.750751D+00 -0.239348D+01  0.146427D+02
      4   0.366958D+01 -0.486141D+01  0.418233D+01 -0.860892D+01 -0.372594D+01
      5  -0.517960D+01  0.105113D+02  0.283587D+02  0.128545D+00 -0.478109D+02
      6  -0.302729D+00  0.179819D+01 -0.778960D+01  0.478346D+01  0.149469D+02
               181           182           183           184           185 
      1  -0.640002D+01 -0.194662D+02 -0.229383D+01 -0.138845D+02 -0.343143D+02
      2   0.699460D+01  0.212024D+02  0.251191D+01  0.937270D+01  0.470943D+02
      3  -0.594581D+00 -0.173622D+01 -0.218082D+00  0.451178D+01 -0.127800D+02
      4  -0.415033D+00 -0.828220D+01 -0.365762D+01  0.579544D+01 -0.325480D+02
      5   0.269977D+01 -0.221642D+01 -0.905022D+00  0.103630D+01 -0.384464D+01
      6   0.721557D+00  0.618226D+01  0.416834D+01  0.205046D+01  0.130192D+02
               186           187           188           189           190 
      1  -0.695383D+01  0.393532D+00 -0.700589D+01 -0.324258D+01  0.682499D+02
      2   0.641284D+01  0.124470D+01  0.507687D+01  0.251375D+01 -0.285206D+02
      3   0.540995D+00 -0.163824D+01  0.192902D+01  0.728834D+00 -0.397292D+02
      4  -0.478132D+01 -0.228879D+01 -0.217745D+01 -0.401691D+01 -0.410901D+02
      5  -0.473997D+01  0.368265D+01 -0.402817D+01 -0.482296D+01  0.161529D+02
      6   0.877892D+01  0.435065D+00  0.855474D+01  0.450238D+01 -0.735195D+01
               191           192           193           194           195 
      1  -0.198966D+02  0.163472D+02 -0.110307D+02  0.508581D+01 -0.415625D+01
      2   0.458583D+01 -0.563667D+01  0.184287D+00  0.439515D+01  0.324065D+00
      3   0.153107D+02 -0.107106D+02  0.108464D+02 -0.948096D+01  0.383218D+01
      4   0.224172D+02 -0.104617D+02  0.191772D+02 -0.157800D+02  0.642161D+01
      5  -0.598273D+01  0.160907D+02 -0.462582D+01  0.459876D+01 -0.204642D+01
      6   0.372923D+01 -0.711433D+01  0.348580D+01 -0.167221D+01  0.328391D+01
               196           197           198           199           200 
      1   0.319920D+02 -0.101808D+02  0.141910D+02  0.565631D+00  0.387085D+00
      2  -0.119754D+02  0.137451D+01 -0.875407D+01 -0.116272D+01  0.126035D-01
      3  -0.200166D+02  0.880628D+01 -0.543694D+01  0.597092D+00 -0.399689D+00
      4  -0.238577D+02  0.169000D+02 -0.997079D+01  0.104286D+01  0.238108D+01
      5   0.202504D+02 -0.687020D+01  0.132817D+02  0.530950D+00  0.144709D+01
      6  -0.877594D+01  0.450918D+01 -0.665417D+01  0.248524D+01  0.496294D+00
               201           202           203           204           205 
      1   0.697426D+00  0.499709D+01 -0.180275D+02 -0.802441D+01  0.203961D+01
      2  -0.564468D+00 -0.316538D+01  0.163879D+02  0.362338D+01 -0.350808D+01
      3  -0.132958D+00 -0.183171D+01  0.163961D+01  0.440104D+01  0.146847D+01
      4   0.102077D+01  0.159423D+01  0.523239D+01  0.193200D+01  0.204941D+01
      5   0.173240D+01  0.103192D+01  0.280457D+01  0.241741D+01  0.210272D+01
      6   0.801743D+00 -0.648265D+00  0.117909D+02  0.746466D+01  0.211436D+01
               206           207           208           209           210 
      1  -0.559050D+01 -0.276518D+01  0.168922D+01 -0.429521D+01 -0.161423D+01
      2   0.243912D+01  0.147732D+01  0.883645D+00  0.252748D+01  0.743628D+00
      3   0.315139D+01  0.128787D+01 -0.257287D+01  0.176772D+01  0.870600D+00
      4   0.630183D+00  0.151822D+01 -0.358835D+01  0.397358D+01  0.145218D+01
      5   0.226212D+01  0.106110D+01 -0.221046D+01  0.113169D+01  0.757179D+00
      6   0.557576D+01  0.434711D+01  0.668327D+00 -0.103103D+01 -0.501085D-01
               211           212           213           214           215 
      1  -0.298546D+01 -0.154165D+02 -0.238005D+01 -0.285174D+01 -0.259920D+01
      2   0.433625D+00  0.214712D+02  0.280625D+01 -0.386975D+00  0.392186D+01
      3   0.255184D+01 -0.605467D+01 -0.426203D+00  0.323872D+01 -0.132266D+01
      4   0.541757D+01 -0.170446D+02 -0.318107D+01  0.354888D+01 -0.452516D+01
      5   0.143363D+01 -0.234322D+01 -0.198400D+01 -0.207533D+01 -0.168582D+01
      6  -0.119216D+01  0.113500D+01  0.379537D+01  0.198434D+01  0.255903D+01
               216           217           218           219           220 
      1  -0.301853D+01  0.177057D+02 -0.644373D+01  0.597838D+01 -0.220520D+02
      2   0.237453D+01 -0.626331D+01  0.133722D+01 -0.225837D+01  0.519166D+01
      3   0.644003D+00 -0.114424D+02  0.510651D+01 -0.372001D+01  0.168603D+02
      4  -0.230381D+01 -0.793134D+01  0.104495D+02 -0.662816D+01  0.325948D+02
      5  -0.981683D+00  0.692800D+01 -0.595301D+01  0.431018D+01 -0.545383D+01
      6   0.150159D+01 -0.301047D+01  0.975707D+00 -0.502788D+00  0.331713D+01
               221           222           223           224           225 
      1   0.973486D+01 -0.370597D+00  0.203637D+02 -0.735650D+01  0.174966D+01
      2   0.105604D+02 -0.517659D+01 -0.733767D+01 -0.315650D+01 -0.285301D+00
      3  -0.202952D+02  0.554718D+01 -0.130260D+02  0.105130D+02 -0.146436D+01
      4  -0.533505D+02  0.154450D+02 -0.192151D+02  0.276054D+02 -0.198799D+02
      5   0.167780D+02 -0.199837D+02  0.139698D+02 -0.212817D+02  0.171149D+02
      6  -0.748774D+01  0.750923D+01 -0.519452D+01  0.979285D+01 -0.673040D+01
               226           227           228           229           230 
      1   0.219697D+01 -0.525528D+00 -0.884477D+01 -0.825265D+01 -0.518511D+00
      2  -0.200551D+01 -0.142368D+00  0.210183D+01  0.376729D+01  0.139879D+01
      3  -0.191466D+00  0.667896D+00  0.674294D+01  0.448536D+01 -0.880281D+00
      4   0.340155D+01 -0.186637D+01 -0.262505D+01  0.131889D+02 -0.200804D+02
      5  -0.197829D+01 -0.333602D+01 -0.357695D+01  0.322706D+01 -0.123023D+02
      6   0.172122D+01  0.250013D+01  0.248772D+01 -0.184951D+01  0.769953D+01
               231           232           233           234           235 
      1  -0.580877D+01 -0.196425D+02 -0.552598D+01 -0.122756D+02  0.100851D+03
      2   0.157203D+01  0.136597D+02 -0.793804D+00 -0.984981D+01 -0.539599D+02
      3   0.423674D+01  0.598279D+01  0.631978D+01  0.221254D+02 -0.468912D+02
      4  -0.125072D+02  0.791762D+01 -0.158348D+02 -0.213572D+02  0.166711D+02
      5  -0.181344D+02  0.177376D+02 -0.229610D+02 -0.536775D+02 -0.122908D+02
      6   0.108194D+02 -0.448777D+01  0.125777D+02  0.177097D+02 -0.272444D+01
               236           237           238           239           240 
      1   0.211284D+02 -0.688967D+01  0.480110D+02  0.179368D+02 -0.500660D+01
      2  -0.126004D+02  0.504647D+01 -0.260676D+02 -0.818484D+01  0.293112D+01
      3  -0.852795D+01  0.184320D+01 -0.219435D+02 -0.975196D+01  0.207548D+01
      4   0.159766D+02 -0.260349D+01  0.213111D+02  0.139283D+02 -0.130239D+01
      5  -0.375659D+01  0.137408D+02 -0.776280D+01 -0.189753D+01  0.679259D+01
      6  -0.167292D+01 -0.420422D-01 -0.271082D+01 -0.241436D+01  0.210752D+01
               241           242           243 
      1  -0.186247D+01 -0.230469D+01  0.930192D+01
      2   0.255208D+01  0.804307D+00 -0.662953D+01
      3  -0.689607D+00  0.150039D+01 -0.267239D+01
      4  -0.203199D+01  0.687157D+00  0.100298D+01
      5   0.151257D+02  0.150829D+01 -0.566495D+01
      6   0.455334D+00  0.266788D+01  0.467583D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124577D+01      0.316643D+01      0.105621D+02
   x          0.753203D+00      0.191445D+01      0.638592D+01
   y          0.976112D+00      0.248103D+01      0.827583D+01
   z          0.178418D+00      0.453492D+00      0.151269D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.123244D+03      0.182628D+02      0.203201D+02
   aniso      0.550687D+02      0.816033D+01      0.907960D+01
   xx         0.157753D+03      0.233766D+02      0.260100D+02
   yx        -0.327875D+01     -0.485861D+00     -0.540593D+00
   yy         0.114652D+03      0.169897D+02      0.189036D+02
   zx        -0.516232D+01     -0.764976D+00     -0.851151D+00
   zy         0.228517D+01      0.338627D+00      0.376773D+00
   zz         0.973254D+02      0.144221D+02      0.160468D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.134332D+03      0.199059D+02      0.221483D+02
   aniso      0.656087D+02      0.972220D+01      0.108174D+02
   xx         0.175948D+03      0.260729D+02      0.290100D+02
   yx        -0.328410D+01     -0.486653D+00     -0.541475D+00
   yy         0.122700D+03      0.181823D+02      0.202305D+02
   zx        -0.594138D+01     -0.880421D+00     -0.979601D+00
   zy         0.235681D+01      0.349244D+00      0.388586D+00
   zz         0.104346D+03      0.154625D+02      0.172043D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.84350102         -4.11458160          1.11749627
     6          2.71549977         -2.09377643          1.96139727
     6          1.80939708          0.66985641          1.27982759
     6          0.29059178          1.05229429         -1.03462875
     6         -2.10477951          1.82814416         -1.15084451
     6         -3.44321037          2.11089180         -3.59966085
     8         -2.45468518          1.62065308         -5.61369948
     6          5.38602942         -2.76339846          1.15736277
     6          2.32147388         -1.36270363          4.78012289
     6          0.65938131          0.89181585          3.94881994
     6         -6.13810695          3.04871696         -3.44770045
     1          4.08098051         -0.74157458          5.65623075
     1          1.44784775         -2.78821811          5.98401243
     1          3.50522779          1.84928067          1.14766810
     1         -1.34368010          0.41530459          3.97294713
     1          0.91773251          2.68099268          4.93192395
     1          0.87888355         -4.36234917         -0.93042501
     1         -1.09024428         -3.64229132          1.65438282
     1          1.32059464         -5.92472620          1.98824646
     1          6.73472472         -1.33132072          1.78023032
     1          5.52555110         -2.92249386         -0.89758934
     1          5.96397377         -4.57524878          1.96433571
     1          1.21749486          0.64155198         -2.82249600
     1         -3.14697583          2.28601847          0.55249684
     1         -6.19568552          4.89289195         -2.51772021
     1         -7.27218713          1.76103447         -2.29642332
     1         -6.94542124          3.19235938         -5.33138021

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124577D+01      0.316643D+01      0.105621D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.124577D+01      0.316643D+01      0.105621D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.123244D+03      0.182628D+02      0.203201D+02
   aniso      0.550687D+02      0.816033D+01      0.907960D+01
   xx         0.135502D+03      0.200794D+02      0.223413D+02
   yx        -0.203930D+02     -0.302193D+01     -0.336235D+01
   yy         0.107664D+03      0.159541D+02      0.177513D+02
   zx         0.184667D+02      0.273648D+01      0.304475D+01
   zy        -0.720680D+01     -0.106794D+01     -0.118824D+01
   zz         0.126565D+03      0.187550D+02      0.208677D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.134332D+03      0.199059D+02      0.221483D+02
   aniso      0.656087D+02      0.972220D+01      0.108174D+02
   xx         0.148550D+03      0.220128D+02      0.244926D+02
   yx        -0.235194D+02     -0.348522D+01     -0.387783D+01
   yy         0.116267D+03      0.172291D+02      0.191699D+02
   zx         0.228984D+02      0.339319D+01      0.377543D+01
   zy        -0.925766D+01     -0.137184D+01     -0.152638D+01
   zz         0.138177D+03      0.204757D+02      0.227823D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U22-12\Freq\RB3LYP\Gen\C10H16O1\PIERPA\12-Aug-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
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 0120,0.00000098,0.00000120,0.00000143,0.00000097,-0.00000022,0.0000019
 9,0.00000223,-0.00000073,0.00000015,-0.00000061,-0.00000020,0.00000037
 ,-0.00000050,0.00000095,0.00000176,0.00000035,-0.00000002,-0.00000025,
 -0.00000116,0.00000127,-0.00000040,-0.00000024,0.00000010,-0.00000007,
 0.,0.00000195,0.00000058,-0.00000058,0.00000211,0.00000013,-0.00000111
 ,0.00000199\\\@


 A leading authority is anyone who has guessed right more than once.
 -- Frank A. Clark
 Job cpu time:       0 days  5 hours 55 minutes  7.6 seconds.
 Elapsed time:       0 days  0 hours 44 minutes 32.6 seconds.
 File lengths (MBytes):  RWF=    477 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:37:16 2021.
